N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine

C16H27N — CID 81388211

IUPACN-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)C1CCCCCC1
InChIInChI=1S/C16H27N/c1-12(13-7-4-2-3-5-8-13)17-16-11-14-9-6-10-15(14)16/h6,10,12-17H,2-5,7-9,11H2,1H3/t12-,14?,15?,16?/m0/s1
InChIKeyCPEVGOGMCHKBDE-SFLNLBOUSA-N
MW233.40 g/mol
LogP3.90
Rot. Bonds3

About N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 81388211) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID81388211
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC[C@H](NC1CC2CC=CC21)C1CCCCCC1
InChIInChI=1S/C16H27N/c1-12(13-7-4-2-3-5-8-13)17-16-11-14-9-6-10-15(14)16/h6,10,12-17H,2-5,7-9,11H2,1H3/t12-,14?,15?,16?/m0/s1
InChIKeyCPEVGOGMCHKBDE-SFLNLBOUSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43233472
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-[1-(4-tert-butylphenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43779215
N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43756772
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 81388211) is N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine is C[C@H](NC1CC2CC=CC21)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is CPEVGOGMCHKBDE-SFLNLBOUSA-N. The full InChI is InChI=1S/C16H27N/c1-12(13-7-4-2-3-5-8-13)17-16-11-14-9-6-10-15(14)16/h6,10,12-17H,2-5,7-9,11H2,1H3/t12-,14?,15?,16?/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 233.40 g/mol, XLogP of 3.90, 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]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 81388211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).