(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine

C16H29N — CID 81385495

IUPAC(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
SMILESC[C@@H](NCC1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C16H29N/c1-12(14-5-3-2-4-6-14)17-11-16-10-13-7-8-15(16)9-13/h12-17H,2-11H2,1H3/t12-,13?,15?,16?/m1/s1
InChIKeyFGQLDGOLWDOAEQ-KHZFOJANSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds4

About (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine

(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine (PubChem CID 81385495) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
PubChem CID81385495
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
SMILESC[C@@H](NCC1CC2CCC1C2)C1CCCCC1
InChIInChI=1S/C16H29N/c1-12(14-5-3-2-4-6-14)17-11-16-10-13-7-8-15(16)9-13/h12-17H,2-11H2,1H3/t12-,13?,15?,16?/m1/s1
InChIKeyFGQLDGOLWDOAEQ-KHZFOJANSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938569
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfanylbutan-2-amine
CID 104694116
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylhexan-2-amine
CID 79552439
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 79555022
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylsulfinylpropan-2-amine
CID 104694131

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine (CID 81385495) is (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine is C[C@@H](NCC1CC2CCC1C2)C1CCCCC1.
What is the InChIKey of (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine?
The InChIKey is FGQLDGOLWDOAEQ-KHZFOJANSA-N. The full InChI is InChI=1S/C16H29N/c1-12(14-5-3-2-4-6-14)17-11-16-10-13-7-8-15(16)9-13/h12-17H,2-11H2,1H3/t12-,13?,15?,16?/m1/s1.
What are the key properties of (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine?
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine is sourced from PubChem (CID 81385495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).