N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine

C17H33N — CID 81031901

IUPACN-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(CCC(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-13-5-6-15(12-18-16-7-8-16)14(11-13)9-10-17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyCERNPRKFTUNIGF-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds5

About N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81031901) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81031901
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(CCC(C)(C)C)C1
InChIInChI=1S/C17H33N/c1-13-5-6-15(12-18-16-7-8-16)14(11-13)9-10-17(2,3)4/h13-16,18H,5-12H2,1-4H3
InChIKeyCERNPRKFTUNIGF-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
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-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81031901) is N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(CCC(C)(C)C)C1.
What is the InChIKey of N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is CERNPRKFTUNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13-5-6-15(12-18-16-7-8-16)14(11-13)9-10-17(2,3)4/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81031901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).