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

C18H35N — CID 81030178

IUPACN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
SMILESC=C(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C18H35N/c1-13(2)10-16-11-17(18(5,6)7)9-8-15(16)12-19-14(3)4/h14-17,19H,1,8-12H2,2-7H3
InChIKeyWVUQSVDGRGRCBH-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.03
Rot. Bonds5

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

N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81030178) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81030178
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC NameN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
SMILESC=C(C)CC1CC(C(C)(C)C)CCC1CNC(C)C
InChIInChI=1S/C18H35N/c1-13(2)10-16-11-17(18(5,6)7)9-8-15(16)12-19-14(3)4/h14-17,19H,1,8-12H2,2-7H3
InChIKeyWVUQSVDGRGRCBH-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.03
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-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022824
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81030395
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
CID 114477712
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-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81021871

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine (CID 81030178) is N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine is C=C(C)CC1CC(C(C)(C)C)CCC1CNC(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is WVUQSVDGRGRCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)10-16-11-17(18(5,6)7)9-8-15(16)12-19-14(3)4/h14-17,19H,1,8-12H2,2-7H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 265.49 g/mol, XLogP of 5.03, 5 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-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81030178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).