4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine

C19H37N — CID 65091606

IUPAC4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
SMILESCCCC1CCC(NC2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C19H37N/c1-4-6-16-9-12-19(13-10-16)20-18-8-5-7-17(11-14-18)15(2)3/h15-20H,4-14H2,1-3H3
InChIKeyOCRIEGZWJRTRRV-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds5

About 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine

4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine (PubChem CID 65091606) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
PubChem CID65091606
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine
SMILESCCCC1CCC(NC2CCCC(C(C)C)CC2)CC1
InChIInChI=1S/C19H37N/c1-4-6-16-9-12-19(13-10-16)20-18-8-5-7-17(11-14-18)15(2)3/h15-20H,4-14H2,1-3H3
InChIKeyOCRIEGZWJRTRRV-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
4-propan-2-yl-N-(2-propylcyclopropyl)cycloheptan-1-amine
CID 114110275
N-cyclopentyl-4-propan-2-ylcyclohexan-1-amine
CID 58841003
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
1-(3,4-dimethylpentan-2-yl)-4-propylcycloheptane
CID 123921809
1-butyl-N-(4-propylcycloheptyl)piperidin-4-amine
CID 65091542
N-cyclopentyl-3-propan-2-ylcyclopentan-1-amine
CID 130628636
1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
4-[(4-propylcycloheptyl)amino]pyrrolidin-2-one
CID 114155313
1-ethyl-N-(4-propylcyclohexyl)piperidin-4-amine
CID 60663750
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine (CID 65091606) is 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine is CCCC1CCC(NC2CCCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine?
The InChIKey is OCRIEGZWJRTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-6-16-9-12-19(13-10-16)20-18-8-5-7-17(11-14-18)15(2)3/h15-20H,4-14H2,1-3H3.
What are the key properties of 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine?
4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(4-propylcyclohexyl)cycloheptan-1-amine is sourced from PubChem (CID 65091606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).