N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine

C19H35N — CID 81032057

IUPACN-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(C2CC(C)CCC2CNC2CC2)C1
InChIInChI=1S/C19H35N/c1-13-4-5-16(12-20-18-6-7-18)19(11-13)17-9-14(2)8-15(3)10-17/h13-20H,4-12H2,1-3H3
InChIKeyAIQAXRDLSCKWPP-UHFFFAOYSA-N
MW277.50 g/mol
LogP4.86
Rot. Bonds4

About N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81032057) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81032057
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CC(C)CC(C2CC(C)CCC2CNC2CC2)C1
InChIInChI=1S/C19H35N/c1-13-4-5-16(12-20-18-6-7-18)19(11-13)17-9-14(2)8-15(3)10-17/h13-20H,4-12H2,1-3H3
InChIKeyAIQAXRDLSCKWPP-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(3,5-dimethylcyclohexyl)cycloheptyl]methyl]cyclopropanamine
CID 81025418
N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]cyclopropanamine
CID 81033733
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
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-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544
N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81026190

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81032057) is N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CC(C)CC(C2CC(C)CCC2CNC2CC2)C1.
What is the InChIKey of N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is AIQAXRDLSCKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-13-4-5-16(12-20-18-6-7-18)19(11-13)17-9-14(2)8-15(3)10-17/h13-20H,4-12H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 277.50 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).