2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

C17H34N2 — CID 78998617

IUPAC2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1CC(C)CC(C)C1N(CCC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-12(2)8-9-19(15-6-7-15)17-14(4)10-13(3)11-16(17)18-5/h12-18H,6-11H2,1-5H3
InChIKeyYTIFQMKZSDIYSX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds6

About 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine

2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (PubChem CID 78998617) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
PubChem CID78998617
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
SMILESCNC1CC(C)CC(C)C1N(CCC(C)C)C1CC1
InChIInChI=1S/C17H34N2/c1-12(2)8-9-19(15-6-7-15)17-14(4)10-13(3)11-16(17)18-5/h12-18H,6-11H2,1-5H3
InChIKeyYTIFQMKZSDIYSX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 64736237
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
4-tert-butyl-2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78943997
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
CID 64751181
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
3-N-cyclopropyl-4-N-methyl-3-N-(3-methylbutyl)oxane-3,4-diamine
CID 78976656
2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751735
3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
CID 79617786
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine (CID 78998617) is 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is CNC1CC(C)CC(C)C1N(CCC(C)C)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
The InChIKey is YTIFQMKZSDIYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)8-9-19(15-6-7-15)17-14(4)10-13(3)11-16(17)18-5/h12-18H,6-11H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine?
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 78998617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).