N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine

C17H31N — CID 64723595

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)C2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-11-6-12(2)8-16(7-11)18-13(3)17-10-14-4-5-15(17)9-14/h11-18H,4-10H2,1-3H3
InChIKeyZEBPHYAXLQQOSY-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.23
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64723595) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64723595
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NC(C)C2CC3CCC2C3)C1
InChIInChI=1S/C17H31N/c1-11-6-12(2)8-16(7-11)18-13(3)17-10-14-4-5-15(17)9-14/h11-18H,4-10H2,1-3H3
InChIKeyZEBPHYAXLQQOSY-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.23
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-cyclopropylcyclohexan-1-amine
CID 64594055
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-ethylcyclohexan-1-amine
CID 43081276
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43178308
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65072788
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]oxolan-3-ol
CID 60897542
tert-butyl 3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]azetidine-1-carboxylate
CID 63422419
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43082314

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine (CID 64723595) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NC(C)C2CC3CCC2C3)C1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is ZEBPHYAXLQQOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-11-6-12(2)8-16(7-11)18-13(3)17-10-14-4-5-15(17)9-14/h11-18H,4-10H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.23, 3 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]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64723595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).