methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane

C25H57NO — CID 159314599

IUPACmethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESC.C.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N.3CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;3*1H4
InChIKeyLCZANLSFMTZDEZ-UHFFFAOYSA-N
MW387.74 g/mol
LogP8.24
Rot. Bonds6

About methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane

methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (PubChem CID 159314599) has the molecular formula C25H57NO and a molecular weight of 387.74 g/mol. Its IUPAC name is methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.

Molecular Properties

Compound Namemethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
PubChem CID159314599
Molecular FormulaC25H57NO
Molecular Weight387.74 g/mol
Exact Mass387.44
IUPAC Namemethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESC.C.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N.3CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;3*1H4
InChIKeyLCZANLSFMTZDEZ-UHFFFAOYSA-N
XLogP8.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.74
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The IUPAC name of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (CID 159314599) is methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.
What is the SMILES notation for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The canonical SMILES for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is C.C.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The InChIKey is LCZANLSFMTZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C9H19N.3CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;3*1H4.
What are the key properties of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane has a molecular weight of 387.74 g/mol, XLogP of 8.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is sourced from PubChem (CID 159314599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).