N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine

C16H29N — CID 114477751

IUPACN-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(C)CCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H29N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h13-17H,1,4-11H2,2-3H3
InChIKeyDCIYNCKAQWVRRN-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.15
Rot. Bonds6

About N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 114477751) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID114477751
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(C)CCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H29N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h13-17H,1,4-11H2,2-3H3
InChIKeyDCIYNCKAQWVRRN-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.15
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-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
4-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 114476472
N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 113474785
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
3-methyl-N-(3-methylbut-3-enyl)cyclopentan-1-amine
CID 114545737
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
CID 114477384
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine (CID 114477751) is N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine is C=C(C)CCC1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is DCIYNCKAQWVRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h13-17H,1,4-11H2,2-3H3.
What are the key properties of N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 235.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 114477751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).