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

C18H33N — CID 81031141

IUPACN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(C)CC1CC(C(C)(C)C)CCC1CNC1CC1
InChIInChI=1S/C18H33N/c1-13(2)10-15-11-16(18(3,4)5)7-6-14(15)12-19-17-8-9-17/h14-17,19H,1,6-12H2,2-5H3
InChIKeyHENCOHNYHOVSCV-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.78
Rot. Bonds5

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

N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81031141) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81031141
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(C)CC1CC(C(C)(C)C)CCC1CNC1CC1
InChIInChI=1S/C18H33N/c1-13(2)10-15-11-16(18(3,4)5)7-6-14(15)12-19-17-8-9-17/h14-17,19H,1,6-12H2,2-5H3
InChIKeyHENCOHNYHOVSCV-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.78
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-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022824
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
CID 81023628
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine (CID 81031141) is N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine is C=C(C)CC1CC(C(C)(C)C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HENCOHNYHOVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-13(2)10-15-11-16(18(3,4)5)7-6-14(15)12-19-17-8-9-17/h14-17,19H,1,6-12H2,2-5H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 263.47 g/mol, XLogP of 4.78, 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]cyclopropanamine is sourced from PubChem (CID 81031141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).