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

C16H31N — CID 81032509

IUPACN-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)CCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H31N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h12-17H,4-11H2,1-3H3
InChIKeyHTNGCNADEHRLAL-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds6

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

N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81032509) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81032509
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)CCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C16H31N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h12-17H,4-11H2,1-3H3
InChIKeyHTNGCNADEHRLAL-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 113474785
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
4-methyl-2-(3-methylbutyl)-N-propylcyclohexan-1-amine
CID 63403394
N-[[4-methyl-2-(4-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 83163463
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
cis-(1S,2R)-1-ethyl-4-methyl-2-(3-methylbutyl)cyclopentane
CID 143682309
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 107889421
(1S)-1-methyl-3-(3-methylbutyl)cyclopentane
CID 148998562

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine (CID 81032509) is N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine is CC(C)CCC1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is HTNGCNADEHRLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)4-6-14-10-13(3)5-7-15(14)11-17-16-8-9-16/h12-17H,4-11H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 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-methylbutyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).