(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine

C20H39N — CID 104575232

IUPAC(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
SMILESC[C@@H](NCC1CCC(C(C)(C)C)CC1)C1CCCCCC1
InChIInChI=1S/C20H39N/c1-16(18-9-7-5-6-8-10-18)21-15-17-11-13-19(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3/t16-,17?,19?/m1/s1
InChIKeyIRQTYJUCUUMWBO-LRYGQEGESA-N
MW293.54 g/mol
LogP5.79
Rot. Bonds4

About (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine

(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine (PubChem CID 104575232) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
PubChem CID104575232
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
SMILESC[C@@H](NCC1CCC(C(C)(C)C)CC1)C1CCCCCC1
InChIInChI=1S/C20H39N/c1-16(18-9-7-5-6-8-10-18)21-15-17-11-13-19(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3/t16-,17?,19?/m1/s1
InChIKeyIRQTYJUCUUMWBO-LRYGQEGESA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
N-[(4-tert-butylcyclohexyl)methyl]-3-ethylpentan-2-amine
CID 104575103
(2S)-2-[(4-tert-butylcyclohexyl)methylamino]-3-methylbutan-1-ol
CID 114983139
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
CID 43370762
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine?
The IUPAC name of (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine (CID 104575232) is (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine.
What is the SMILES notation for (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine?
The canonical SMILES for (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine is C[C@@H](NCC1CCC(C(C)(C)C)CC1)C1CCCCCC1.
What is the InChIKey of (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine?
The InChIKey is IRQTYJUCUUMWBO-LRYGQEGESA-N. The full InChI is InChI=1S/C20H39N/c1-16(18-9-7-5-6-8-10-18)21-15-17-11-13-19(14-12-17)20(2,3)4/h16-19,21H,5-15H2,1-4H3/t16-,17?,19?/m1/s1.
What are the key properties of (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine?
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine has a molecular weight of 293.54 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine is sourced from PubChem (CID 104575232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).