1-(2-cycloheptylbutyl)cyclooctan-1-amine

C19H37N — CID 166977672

IUPAC1-(2-cycloheptylbutyl)cyclooctan-1-amine
SMILESCCC(CC1(N)CCCCCCC1)C1CCCCCC1
InChIInChI=1S/C19H37N/c1-2-17(18-12-8-4-5-9-13-18)16-19(20)14-10-6-3-7-11-15-19/h17-18H,2-16,20H2,1H3
InChIKeyFSPYRRBKCYANEZ-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.81
Rot. Bonds4

About 1-(2-cycloheptylbutyl)cyclooctan-1-amine

1-(2-cycloheptylbutyl)cyclooctan-1-amine (PubChem CID 166977672) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-(2-cycloheptylbutyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2-cycloheptylbutyl)cyclooctan-1-amine
PubChem CID166977672
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-(2-cycloheptylbutyl)cyclooctan-1-amine
SMILESCCC(CC1(N)CCCCCCC1)C1CCCCCC1
InChIInChI=1S/C19H37N/c1-2-17(18-12-8-4-5-9-13-18)16-19(20)14-10-6-3-7-11-15-19/h17-18H,2-16,20H2,1H3
InChIKeyFSPYRRBKCYANEZ-UHFFFAOYSA-N
XLogP5.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylbutyl)cyclooctan-1-amine?
The IUPAC name of 1-(2-cycloheptylbutyl)cyclooctan-1-amine (CID 166977672) is 1-(2-cycloheptylbutyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2-cycloheptylbutyl)cyclooctan-1-amine?
The canonical SMILES for 1-(2-cycloheptylbutyl)cyclooctan-1-amine is CCC(CC1(N)CCCCCCC1)C1CCCCCC1.
What is the InChIKey of 1-(2-cycloheptylbutyl)cyclooctan-1-amine?
The InChIKey is FSPYRRBKCYANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-2-17(18-12-8-4-5-9-13-18)16-19(20)14-10-6-3-7-11-15-19/h17-18H,2-16,20H2,1H3.
What are the key properties of 1-(2-cycloheptylbutyl)cyclooctan-1-amine?
1-(2-cycloheptylbutyl)cyclooctan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylbutyl)cyclooctan-1-amine is sourced from PubChem (CID 166977672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).