N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine

C18H31N — CID 64594055

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESCC(NC1CCCC(C2CC2)C1)C1CC2CCC1C2
InChIInChI=1S/C18H31N/c1-12(18-10-13-5-6-16(18)9-13)19-17-4-2-3-15(11-17)14-7-8-14/h12-19H,2-11H2,1H3
InChIKeyUUWUYDCBPBARMG-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 64594055) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID64594055
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESCC(NC1CCCC(C2CC2)C1)C1CC2CCC1C2
InChIInChI=1S/C18H31N/c1-12(18-10-13-5-6-16(18)9-13)19-17-4-2-3-15(11-17)14-7-8-14/h12-19H,2-11H2,1H3
InChIKeyUUWUYDCBPBARMG-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclobutanamine
CID 98119580
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072788
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
2-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64624206
2-[(3-cyclopropylcyclohexyl)amino]propanamide
CID 64595045
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
2-[(3-cyclopropylcyclohexyl)amino]propan-1-ol
CID 64593901
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43082314
3-cyclopropyl-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 64623783

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine (CID 64594055) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine is CC(NC1CCCC(C2CC2)C1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is UUWUYDCBPBARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-12(18-10-13-5-6-16(18)9-13)19-17-4-2-3-15(11-17)14-7-8-14/h12-19H,2-11H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 64594055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).