2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine

C19H38N2 — CID 104575420

IUPAC2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3
InChIKeyORDJTGJEDXKEQC-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds3

About 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine

2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine (PubChem CID 104575420) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
PubChem CID104575420
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3
InChIKeyORDJTGJEDXKEQC-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
2-N-[2-[(4-tert-butylcyclohexyl)methylamino]pentyl]-1-N,3-dimethylpentane-1,2-diamine
CID 73758794
(4-Tert-butylcyclohexyl)[2-(dimethylamino)ethyl]amine
CID 16771409
N-(4-tert-butylcyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 29280275
1-(2,2-Dimethyloctan-3-yl)-3-methylazepan-3-amine
CID 58219311
5,6-Ditert-butyl-1-propyl-1,4-diazepane
CID 59036736
5-[1-[di(propan-2-yl)(15N)amino]cyclohexyl]-4,5-dimethylhexane-1,1-diamine
CID 69855212
5-[1-(Ditert-butylamino)cyclohexyl]-6,6-dimethylheptane-1,5-diamine
CID 69863795
4-[1-(Ditert-butylamino)cyclohexyl]-5,5-dimethylhexane-1,4-diamine
CID 69913126
(1R)-2-N-[(4-tert-butylcyclohexyl)methyl]cyclohexane-1,2-diamine
CID 89490526
1-(3,3-Dimethylcycloundecyl)-6,6-dimethylazepan-4-amine
CID 123502462

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine (CID 104575420) is 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine is CC1CCCCCN1C(CN)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
The InChIKey is ORDJTGJEDXKEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-8-6-5-7-13-21(15)18(14-20)16-9-11-17(12-10-16)19(2,3)4/h15-18H,5-14,20H2,1-4H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine?
2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-2-(2-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 104575420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).