N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C20H39N — CID 81022824

IUPACN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESC=C(CC)CC1CC(C(C)(C)C)CCC1CNCC(C)C
InChIInChI=1S/C20H39N/c1-8-16(4)11-18-12-19(20(5,6)7)10-9-17(18)14-21-13-15(2)3/h15,17-19,21H,4,8-14H2,1-3,5-7H3
InChIKeyJDMPGNRCAWQGQU-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.67
Rot. Bonds7

About N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81022824) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81022824
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESC=C(CC)CC1CC(C(C)(C)C)CCC1CNCC(C)C
InChIInChI=1S/C20H39N/c1-8-16(4)11-18-12-19(20(5,6)7)10-9-17(18)14-21-13-15(2)3/h15,17-19,21H,4,8-14H2,1-3,5-7H3
InChIKeyJDMPGNRCAWQGQU-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81030395
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
2-methyl-N-[[2-(2-methylidenebutyl)cycloheptyl]methyl]propan-1-amine
CID 81026046
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81022824) is N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is C=C(CC)CC1CC(C(C)(C)C)CCC1CNCC(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is JDMPGNRCAWQGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-8-16(4)11-18-12-19(20(5,6)7)10-9-17(18)14-21-13-15(2)3/h15,17-19,21H,4,8-14H2,1-3,5-7H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.67, 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-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81022824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).