2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine

C19H38N2 — CID 43673879

IUPAC2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
SMILESCCN1CCC(C(C)NC2CCCCC2C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-6-21-13-11-16(12-14-21)15(2)20-18-10-8-7-9-17(18)19(3,4)5/h15-18,20H,6-14H2,1-5H3
InChIKeyULHIWMABEYYAJT-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

About 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 43673879) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
PubChem CID43673879
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine
SMILESCCN1CCC(C(C)NC2CCCCC2C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-6-21-13-11-16(12-14-21)15(2)20-18-10-8-7-9-17(18)19(3,4)5/h15-18,20H,6-14H2,1-5H3
InChIKeyULHIWMABEYYAJT-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481
N-[(1R)-1-cycloheptylethyl]-1-ethylpiperidin-4-amine
CID 81391096
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-[(1S)-1-cyclopentylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81386134
N-[(1S)-1-cyclohexylethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 81384891
N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715679
3-[(2-tert-butylcyclohexyl)amino]-2-methylbutan-1-ol
CID 115722818
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 43082314
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methylbut-3-yn-2-amine
CID 63999312
N-[1-(1-ethylpiperidin-4-yl)ethyl]adamantan-2-amine
CID 43720406

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine (CID 43673879) is 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine is CCN1CCC(C(C)NC2CCCCC2C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ULHIWMABEYYAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-21-13-11-16(12-14-21)15(2)20-18-10-8-7-9-17(18)19(3,4)5/h15-18,20H,6-14H2,1-5H3.
What are the key properties of 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43673879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).