N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine

C15H27N — CID 114981006

IUPACN-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CC2CC2C1
InChIInChI=1S/C15H27N/c1-2-16-15(11-6-4-3-5-7-11)14-9-12-8-13(12)10-14/h11-16H,2-10H2,1H3
InChIKeySMPYFXNOPWYBTJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds4

About N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine (PubChem CID 114981006) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
PubChem CID114981006
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
SMILESCCNC(C1CCCCC1)C1CC2CC2C1
InChIInChI=1S/C15H27N/c1-2-16-15(11-6-4-3-5-7-11)14-9-12-8-13(12)10-14/h11-16H,2-10H2,1H3
InChIKeySMPYFXNOPWYBTJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992333
N-[cycloheptyl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65399653
N-[cyclohexyl-(2-methylcyclopropyl)methyl]ethanamine
CID 65420198
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
N-[cyclopentyl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115779057
N-[cycloheptyl(1,4-dithian-2-yl)methyl]ethanamine
CID 82932401
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
N-[(3,5-dimethylcyclohexyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423231
N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 114981214

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine (CID 114981006) is N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine is CCNC(C1CCCCC1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine?
The InChIKey is SMPYFXNOPWYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-2-16-15(11-6-4-3-5-7-11)14-9-12-8-13(12)10-14/h11-16H,2-10H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine is sourced from PubChem (CID 114981006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).