1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine

C15H30N2 — CID 81390120

IUPAC1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
SMILESC[C@H](NC1CCCC(N)C1)C1CCCCCC1
InChIInChI=1S/C15H30N2/c1-12(13-7-4-2-3-5-8-13)17-15-10-6-9-14(16)11-15/h12-15,17H,2-11,16H2,1H3/t12-,14?,15?/m0/s1
InChIKeyFJOBOZAPBGLRAF-GRTSSRMGSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds3

About 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine

1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine (PubChem CID 81390120) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
PubChem CID81390120
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
SMILESC[C@H](NC1CCCC(N)C1)C1CCCCCC1
InChIInChI=1S/C15H30N2/c1-12(13-7-4-2-3-5-8-13)17-15-10-6-9-14(16)11-15/h12-15,17H,2-11,16H2,1H3/t12-,14?,15?/m0/s1
InChIKeyFJOBOZAPBGLRAF-GRTSSRMGSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
CID 79461481
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
CID 80559737
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine (CID 81390120) is 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine is C[C@H](NC1CCCC(N)C1)C1CCCCCC1.
What is the InChIKey of 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine?
The InChIKey is FJOBOZAPBGLRAF-GRTSSRMGSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(13-7-4-2-3-5-8-13)17-15-10-6-9-14(16)11-15/h12-15,17H,2-11,16H2,1H3/t12-,14?,15?/m0/s1.
What are the key properties of 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine?
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 81390120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).