N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine

C17H35N — CID 81030105

IUPACN-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-8-13-9-10-14(12-18-17(5,6)7)15(11-13)16(2,3)4/h13-15,18H,8-12H2,1-7H3
InChIKeyJEKTXJYGWQQXLA-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds3

About N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine

N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine (PubChem CID 81030105) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
PubChem CID81030105
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-8-13-9-10-14(12-18-17(5,6)7)15(11-13)16(2,3)4/h13-15,18H,8-12H2,1-7H3
InChIKeyJEKTXJYGWQQXLA-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82935432
N-[[4-ethyl-2-(oxan-4-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81029514
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81028892
N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034592
N-[[2-(methoxymethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030062
N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
N-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772
3-tert-butyl-4-ethyl-N-methylcyclohexan-1-amine
CID 165498628
N-(cyclopent-3-en-1-ylmethyl)-2-methylpropan-2-amine
CID 65353678
1,3-diethylcyclopentane
CID 530396
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81030544
2-methyl-N-[[2-(4-methylpentyl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 83148411

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine (CID 81030105) is N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine is CCC1CCC(CNC(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine?
The InChIKey is JEKTXJYGWQQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-13-9-10-14(12-18-17(5,6)7)15(11-13)16(2,3)4/h13-15,18H,8-12H2,1-7H3.
What are the key properties of N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine?
N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81030105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).