1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine

C13H28N2 — CID 64724829

IUPAC1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)C1C(C)CC(C)CC1NC
InChIInChI=1S/C13H28N2/c1-6-7-15(5)13-11(3)8-10(2)9-12(13)14-4/h10-14H,6-9H2,1-5H3
InChIKeyNJHZCYALFKNRGP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds4

About 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine

1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine (PubChem CID 64724829) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
PubChem CID64724829
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)C1C(C)CC(C)CC1NC
InChIInChI=1S/C13H28N2/c1-6-7-15(5)13-11(3)8-10(2)9-12(13)14-4/h10-14H,6-9H2,1-5H3
InChIKeyNJHZCYALFKNRGP-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N,3,5-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724640
2-N-(2,2-dimethylpropyl)-1-N,2-N,3,5-tetramethylcyclohexane-1,2-diamine
CID 64753530
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 102992390
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
N,3,5-trimethyl-2-[[propan-2-yl(propyl)amino]methyl]cyclohexan-1-amine
CID 64735427
2-N-ethyl-2-N-(2-ethylbutyl)-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64751735
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
2-N-cyclopropyl-1-N,3,5-trimethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78998617

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine (CID 64724829) is 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine is CCCN(C)C1C(C)CC(C)CC1NC.
What is the InChIKey of 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine?
The InChIKey is NJHZCYALFKNRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-7-15(5)13-11(3)8-10(2)9-12(13)14-4/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine?
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).