(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine

C17H33N — CID 81392098

IUPAC(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CN[C@H](C)C2CCCCCC2)C1
InChIInChI=1S/C17H33N/c1-14-8-7-9-16(12-14)13-18-15(2)17-10-5-3-4-6-11-17/h14-18H,3-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyHVZZTYKTMHJOCE-HWOWSKLDSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds4

About (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine

(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 81392098) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
PubChem CID81392098
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
SMILESCC1CCCC(CN[C@H](C)C2CCCCCC2)C1
InChIInChI=1S/C17H33N/c1-14-8-7-9-16(12-14)13-18-15(2)17-10-5-3-4-6-11-17/h14-18H,3-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeyHVZZTYKTMHJOCE-HWOWSKLDSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
CID 115881238
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine (CID 81392098) is (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine is CC1CCCC(CN[C@H](C)C2CCCCCC2)C1.
What is the InChIKey of (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is HVZZTYKTMHJOCE-HWOWSKLDSA-N. The full InChI is InChI=1S/C17H33N/c1-14-8-7-9-16(12-14)13-18-15(2)17-10-5-3-4-6-11-17/h14-18H,3-13H2,1-2H3/t14?,15-,16?/m1/s1.
What are the key properties of (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine?
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 81392098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).