N-[(1S)-1-cycloheptylethyl]cycloheptanamine

C16H31N — CID 81389840

IUPACN-[(1S)-1-cycloheptylethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C16H31N/c1-14(15-10-6-2-3-7-11-15)17-16-12-8-4-5-9-13-16/h14-17H,2-13H2,1H3/t14-/m0/s1
InChIKeyCQVTUYQDYYQCSW-AWEZNQCLSA-N
MW237.43 g/mol
LogP4.66
Rot. Bonds3

About N-[(1S)-1-cycloheptylethyl]cycloheptanamine

N-[(1S)-1-cycloheptylethyl]cycloheptanamine (PubChem CID 81389840) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]cycloheptanamine
PubChem CID81389840
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[(1S)-1-cycloheptylethyl]cycloheptanamine
SMILESC[C@H](NC1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C16H31N/c1-14(15-10-6-2-3-7-11-15)17-16-12-8-4-5-9-13-16/h14-17H,2-13H2,1H3/t14-/m0/s1
InChIKeyCQVTUYQDYYQCSW-AWEZNQCLSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1S)-1-cycloheptylethyl]cycloheptanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]cycloheptanamine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]cycloheptanamine (CID 81389840) is N-[(1S)-1-cycloheptylethyl]cycloheptanamine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]cycloheptanamine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]cycloheptanamine is C[C@H](NC1CCCCCC1)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]cycloheptanamine?
The InChIKey is CQVTUYQDYYQCSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N/c1-14(15-10-6-2-3-7-11-15)17-16-12-8-4-5-9-13-16/h14-17H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]cycloheptanamine?
N-[(1S)-1-cycloheptylethyl]cycloheptanamine has a molecular weight of 237.43 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]cycloheptanamine is sourced from PubChem (CID 81389840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).