(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

C26H51N — CID 142282058

IUPAC(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C23H43N.C3H8/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10;1-3-2/h16-20H,7-8,11-15H2,1-6,9-10H3;3H2,1-2H3/b21-16-;
InChIKeyXMPSBBFDJGBJPQ-PLMZOXRSSA-N
MW377.70 g/mol
LogP8.50
Rot. Bonds12

About (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane

(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (PubChem CID 142282058) has the molecular formula C26H51N and a molecular weight of 377.70 g/mol. Its IUPAC name is (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.

Molecular Properties

Compound Name(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
PubChem CID142282058
Molecular FormulaC26H51N
Molecular Weight377.70 g/mol
Exact Mass377.40
IUPAC Name(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane
SMILESC=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC
InChIInChI=1S/C23H43N.C3H8/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10;1-3-2/h16-20H,7-8,11-15H2,1-6,9-10H3;3H2,1-2H3/b21-16-;
InChIKeyXMPSBBFDJGBJPQ-PLMZOXRSSA-N
XLogP8.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.70
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 142281793
CID 142281793
CID 68302134
CID 68302134
CID 68302340
CID 68302340
CID 68302520
CID 68302520
CID 88699768
CID 88699768
CID 88700175
CID 88700175
CID 89965355
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CID 89973109
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CID 118457565
CID 118457565

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The IUPAC name of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane (CID 142282058) is (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane.
What is the SMILES notation for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The canonical SMILES for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is C=C(/C(C)=C\C(=C)N(C)C)C(C)CCC(C)C(C)CCC(C)CC.CCC.
What is the InChIKey of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
The InChIKey is XMPSBBFDJGBJPQ-PLMZOXRSSA-N. The full InChI is InChI=1S/C23H43N.C3H8/c1-11-17(2)12-13-18(3)19(4)14-15-20(5)23(8)21(6)16-22(7)24(9)10;1-3-2/h16-20H,7-8,11-15H2,1-6,9-10H3;3H2,1-2H3/b21-16-;.
What are the key properties of (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane?
(3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane has a molecular weight of 377.70 g/mol, XLogP of 8.50, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N,4,6,9,10,13-heptamethyl-5-methylidenepentadeca-1,3-dien-2-amine;propane is sourced from PubChem (CID 142282058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).