1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine

C18H37N — CID 115849970

IUPAC1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC1CCCCC1)CCC(C)(C)C
InChIInChI=1S/C18H37N/c1-5-15-19-17(13-14-18(2,3)4)12-11-16-9-7-6-8-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyGRPAVHKMHQCPBP-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds8

About 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine

1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine (PubChem CID 115849970) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
PubChem CID115849970
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
SMILESCCCNC(CCC1CCCCC1)CCC(C)(C)C
InChIInChI=1S/C18H37N/c1-5-15-19-17(13-14-18(2,3)4)12-11-16-9-7-6-8-10-16/h16-17,19H,5-15H2,1-4H3
InChIKeyGRPAVHKMHQCPBP-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
4-cyclohexyl-1-ethoxy-N-propylbutan-2-amine
CID 105008032
1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032084
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine?
The IUPAC name of 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine (CID 115849970) is 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine.
What is the SMILES notation for 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine?
The canonical SMILES for 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine is CCCNC(CCC1CCCCC1)CCC(C)(C)C.
What is the InChIKey of 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine?
The InChIKey is GRPAVHKMHQCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-15-19-17(13-14-18(2,3)4)12-11-16-9-7-6-8-10-16/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine?
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine is sourced from PubChem (CID 115849970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).