N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C19H37N — CID 63448545

IUPACN-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC2CCCCC2)CC1
InChIInChI=1S/C19H37N/c1-4-19(2,3)17-10-12-18(13-11-17)20-15-14-16-8-6-5-7-9-16/h16-18,20H,4-15H2,1-3H3
InChIKeyHYAWNZGFUOVXAY-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.54
Rot. Bonds6

About N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63448545) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63448545
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC NameN-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC2CCCCC2)CC1
InChIInChI=1S/C19H37N/c1-4-19(2,3)17-10-12-18(13-11-17)20-15-14-16-8-6-5-7-9-16/h16-18,20H,4-15H2,1-3H3
InChIKeyHYAWNZGFUOVXAY-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
N-(2-cyclohexylethyl)oxetan-3-amine
CID 63623286
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
N-(2-cyclohexylethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54932012

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63448545) is N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCC2CCCCC2)CC1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is HYAWNZGFUOVXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-4-19(2,3)17-10-12-18(13-11-17)20-15-14-16-8-6-5-7-9-16/h16-18,20H,4-15H2,1-3H3.
What are the key properties of N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 279.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63448545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).