N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine

C25H47N — CID 170074069

IUPACN-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine
SMILESCC1CCCCC(N(C2CCCCCC2)C(C)C2CCCCCCC2)C1
InChIInChI=1S/C25H47N/c1-21-14-12-13-19-25(20-21)26(24-17-10-6-7-11-18-24)22(2)23-15-8-4-3-5-9-16-23/h21-25H,3-20H2,1-2H3
InChIKeyNXGKHWFIPRZSDF-UHFFFAOYSA-N
MW361.66 g/mol
LogP7.73
Rot. Bonds4

About N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine

N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine (PubChem CID 170074069) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine
PubChem CID170074069
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC NameN-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine
SMILESCC1CCCCC(N(C2CCCCCC2)C(C)C2CCCCCCC2)C1
InChIInChI=1S/C25H47N/c1-21-14-12-13-19-25(20-21)26(24-17-10-6-7-11-18-24)22(2)23-15-8-4-3-5-9-16-23/h21-25H,3-20H2,1-2H3
InChIKeyNXGKHWFIPRZSDF-UHFFFAOYSA-N
XLogP7.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
1-cyclopentylethylcyclohexane
CID 57034702
1,3,5-trimethylcyclododecane
CID 123355776
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
(1R)-1,3-dimethylcyclohexane
CID 12594306
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine?
The IUPAC name of N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine (CID 170074069) is N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine.
What is the SMILES notation for N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine?
The canonical SMILES for N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine is CC1CCCCC(N(C2CCCCCC2)C(C)C2CCCCCCC2)C1.
What is the InChIKey of N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine?
The InChIKey is NXGKHWFIPRZSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-21-14-12-13-19-25(20-21)26(24-17-10-6-7-11-18-24)22(2)23-15-8-4-3-5-9-16-23/h21-25H,3-20H2,1-2H3.
What are the key properties of N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine?
N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine has a molecular weight of 361.66 g/mol, XLogP of 7.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-(1-cyclooctylethyl)-3-methylcycloheptan-1-amine is sourced from PubChem (CID 170074069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).