N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine

C20H41N — CID 81021865

IUPACN-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C20H41N/c1-8-9-16(4)12-18-13-19(20(5,6)7)11-10-17(18)14-21-15(2)3/h15-19,21H,8-14H2,1-7H3
InChIKeyWZHVBFOFUFUAKF-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.89
Rot. Bonds7

About N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81021865) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81021865
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C20H41N/c1-8-9-16(4)12-18-13-19(20(5,6)7)11-10-17(18)14-21-15(2)3/h15-19,21H,8-14H2,1-7H3
InChIKeyWZHVBFOFUFUAKF-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
N-methyl-2-(2-methylpentyl)cyclopropan-1-amine
CID 163758904
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
[2-(2-methylpentyl)cyclohexyl]methanamine
CID 81009598
N-[(2-prop-2-enyl-4-propylcyclohexyl)methyl]propan-2-amine
CID 81029906
1,3-bis(2-methylpentyl)cyclohexane;methane
CID 173426658

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine (CID 81021865) is N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine is CCCC(C)CC1CC(C(C)(C)C)CCC1CNC(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is WZHVBFOFUFUAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-8-9-16(4)12-18-13-19(20(5,6)7)11-10-17(18)14-21-15(2)3/h15-19,21H,8-14H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 295.56 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).