CID 161300265

C199H377N25O6V5W — CID 161300265

IUPAC—
SMILESCC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2(CNC2)CC1=O.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC(CC1=O)N2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC(C1)N2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2CCC(C1)N2.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1=O.CC(C)(C)N1C[CH-]CC[CH-]C1.CC(C)(C)N1C[CH-]CC[CH-]C1=O.[CH2-]C1([CH2-])CN(C(C)(C)C)C1.[CH2-]C1CC([CH2-])CN(C(C)(C)C)C1.[CH2-]C1C[CH-]CN(C(C)(C)C)C1.[CH2-]CC1(C[CH2-])CN(C(C)(C)C)CO1.[V+2].[V+2].[V+2].[V+2].[V+2].[W+2]
InChIInChI=1S/C12H23N.2C11H20N2O.3C11H22N2.C11H21NO.3C11H21N.C10H18N2O.C10H19NO.C10H17NO.4C10H19N.2C9H17N.5V.W/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-7-9-5-4-8(12-9)6-10(13)14;1-11(2,3)13-8-7-12-6-4-5-9(12)10(13)14;1-11(2,3)13-7-6-9-4-5-10(8-13)12-9;1-11(2,3)13-7-9-5-4-6-10(8-13)12-9;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-6-11(7-2)8-12(9-13-11)10(3,4)5;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-9-6-10(2)8-12(7-9)11(3,4)5;1-9(2,3)12-7-10(4-8(12)13)5-11-6-10;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-6-4-5-7-9(11)12;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-5-7-4-8(7)6-10;1-8(2,3)10-6-9(4,5)7-10;;;;;;/h4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;1-2,6-9H2,3-5H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,1-2,6-8H2,3-5H3;11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5,8H2,1-3H3;2*8-9H,4-7H2,1-3H3;5,9H,1,6-8H2,2-4H3;6-7H,4-5,8-9H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;;;;;;/q;;;;;;-2;;;-2;;;-2;;;2*-2;;-2;6*+2
InChIKeyVHMZAMGSDOMFEK-UHFFFAOYSA-N
MW3654.93 g/mol
LogP36.56
Rot. Bonds2

About CID 161300265

CID 161300265 (PubChem CID 161300265) has the molecular formula C199H377N25O6V5W and a molecular weight of 3654.93 g/mol.

Molecular Properties

Compound NameCID 161300265
PubChem CID161300265
Molecular FormulaC199H377N25O6V5W
Molecular Weight3654.93 g/mol
Exact Mass3652.67
IUPAC Name—
SMILESCC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2(CNC2)CC1=O.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC(CC1=O)N2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC(C1)N2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2CCC(C1)N2.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1=O.CC(C)(C)N1C[CH-]CC[CH-]C1.CC(C)(C)N1C[CH-]CC[CH-]C1=O.[CH2-]C1([CH2-])CN(C(C)(C)C)C1.[CH2-]C1CC([CH2-])CN(C(C)(C)C)C1.[CH2-]C1C[CH-]CN(C(C)(C)C)C1.[CH2-]CC1(C[CH2-])CN(C(C)(C)C)CO1.[V+2].[V+2].[V+2].[V+2].[V+2].[W+2]
InChIInChI=1S/C12H23N.2C11H20N2O.3C11H22N2.C11H21NO.3C11H21N.C10H18N2O.C10H19NO.C10H17NO.4C10H19N.2C9H17N.5V.W/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-7-9-5-4-8(12-9)6-10(13)14;1-11(2,3)13-8-7-12-6-4-5-9(12)10(13)14;1-11(2,3)13-7-6-9-4-5-10(8-13)12-9;1-11(2,3)13-7-9-5-4-6-10(8-13)12-9;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-6-11(7-2)8-12(9-13-11)10(3,4)5;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-9-6-10(2)8-12(7-9)11(3,4)5;1-9(2,3)12-7-10(4-8(12)13)5-11-6-10;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-6-4-5-7-9(11)12;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-5-7-4-8(7)6-10;1-8(2,3)10-6-9(4,5)7-10;;;;;;/h4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;1-2,6-9H2,3-5H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,1-2,6-8H2,3-5H3;11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5,8H2,1-3H3;2*8-9H,4-7H2,1-3H3;5,9H,1,6-8H2,2-4H3;6-7H,4-5,8-9H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;;;;;;/q;;;;;;-2;;;-2;;;-2;;;2*-2;;-2;6*+2
InChIKeyVHMZAMGSDOMFEK-UHFFFAOYSA-N
XLogP36.56
TPSA202.90 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds2
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003654.93
LogP ≤ 536.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

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Frequently Asked Questions

What is the IUPAC name of CID 161300265?
The IUPAC name of CID 161300265 (CID 161300265) is not available.
What is the SMILES notation for CID 161300265?
The canonical SMILES for CID 161300265 is CC(C)(C)N1C2CCCC1CC2.CC(C)(C)N1CC2(CNC2)CC1=O.CC(C)(C)N1CC2CC(C2)C1.CC(C)(C)N1CC2CC2C1.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CC2CCC(CC1=O)N2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCCC(C1)N2.CC(C)(C)N1CCC2(CCC2)CC1.CC(C)(C)N1CCC2CCC(C1)N2.CC(C)(C)N1CCCC2(CC2)C1.CC(C)(C)N1CCN2CCCC2C1.CC(C)(C)N1CCN2CCCC2C1=O.CC(C)(C)N1C[CH-]CC[CH-]C1.CC(C)(C)N1C[CH-]CC[CH-]C1=O.[CH2-]C1([CH2-])CN(C(C)(C)C)C1.[CH2-]C1CC([CH2-])CN(C(C)(C)C)C1.[CH2-]C1C[CH-]CN(C(C)(C)C)C1.[CH2-]CC1(C[CH2-])CN(C(C)(C)C)CO1.[V+2].[V+2].[V+2].[V+2].[V+2].[W+2].
What is the InChIKey of CID 161300265?
The InChIKey is VHMZAMGSDOMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.2C11H20N2O.3C11H22N2.C11H21NO.3C11H21N.C10H18N2O.C10H19NO.C10H17NO.4C10H19N.2C9H17N.5V.W/c1-11(2,3)13-9-7-12(8-10-13)5-4-6-12;1-11(2,3)13-7-9-5-4-8(12-9)6-10(13)14;1-11(2,3)13-8-7-12-6-4-5-9(12)10(13)14;1-11(2,3)13-7-6-9-4-5-10(8-13)12-9;1-11(2,3)13-7-9-5-4-6-10(8-13)12-9;1-11(2,3)13-8-7-12-6-4-5-10(12)9-13;1-6-11(7-2)8-12(9-13-11)10(3,4)5;1-10(2,3)12-8-4-5-11(9-12)6-7-11;1-11(2,3)12-9-5-4-6-10(12)8-7-9;1-9-6-10(2)8-12(7-9)11(3,4)5;1-9(2,3)12-7-10(4-8(12)13)5-11-6-10;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-6-4-5-7-9(11)12;1-10(2,3)11-6-8-4-9(5-8)7-11;1-10(2,3)11-7-8-4-5-9(11)6-8;1-9-6-5-7-11(8-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-5-7-4-8(7)6-10;1-8(2,3)10-6-9(4,5)7-10;;;;;;/h4-10H2,1-3H3;8-9,12H,4-7H2,1-3H3;9H,4-8H2,1-3H3;2*9-10,12H,4-8H2,1-3H3;10H,4-9H2,1-3H3;1-2,6-9H2,3-5H3;4-9H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,1-2,6-8H2,3-5H3;11H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;6-7H,4-5,8H2,1-3H3;2*8-9H,4-7H2,1-3H3;5,9H,1,6-8H2,2-4H3;6-7H,4-5,8-9H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H2,1-3H3;;;;;;/q;;;;;;-2;;;-2;;;-2;;;2*-2;;-2;6*+2.
What are the key properties of CID 161300265?
CID 161300265 has a molecular weight of 3654.93 g/mol, XLogP of 36.56, 2 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161300265 is sourced from PubChem (CID 161300265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).