2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine

C17H34N2 — CID 64736237

IUPAC2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(CC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-12(2)10-19(15-6-7-15)11-16-14(4)8-13(3)9-17(16)18-5/h12-18H,6-11H2,1-5H3
InChIKeyDMHMLCUQBCDZMJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.38
Rot. Bonds6

About 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine

2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64736237) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64736237
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN(CC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-12(2)10-19(15-6-7-15)11-16-14(4)8-13(3)9-17(16)18-5/h12-18H,6-11H2,1-5H3
InChIKeyDMHMLCUQBCDZMJ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617
2-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 64736620
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64737435
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
N,3,5-trimethyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735271
N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 78991239

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine (CID 64736237) is 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1CN(CC(C)C)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is DMHMLCUQBCDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)10-19(15-6-7-15)11-16-14(4)8-13(3)9-17(16)18-5/h12-18H,6-11H2,1-5H3.
What are the key properties of 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine?
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64736237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).