2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine

C13H26N2O — CID 82734062

IUPAC2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine
SMILESCC1CC(C)C(N(C)C2CCOC2)C(N)C1
InChIInChI=1S/C13H26N2O/c1-9-6-10(2)13(12(14)7-9)15(3)11-4-5-16-8-11/h9-13H,4-8,14H2,1-3H3
InChIKeyZQIRAJICYIUVAR-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds2

About 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine (PubChem CID 82734062) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine
PubChem CID82734062
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine
SMILESCC1CC(C)C(N(C)C2CCOC2)C(N)C1
InChIInChI=1S/C13H26N2O/c1-9-6-10(2)13(12(14)7-9)15(3)11-4-5-16-8-11/h9-13H,4-8,14H2,1-3H3
InChIKeyZQIRAJICYIUVAR-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
CID 82746077
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259
N-methyl-N-(oxolan-3-yl)azetidin-3-amine
CID 66187761
2-N,3,5-trimethyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 64723008
3-[methyl(oxolan-3-yl)amino]cyclohexan-1-ol
CID 82749082
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64724227
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
N,N-diaminooxolan-3-amine
CID 123543095
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
N-methoxy-N-methyloxolan-3-amine
CID 142607541
N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine
CID 131177043

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine (CID 82734062) is 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine is CC1CC(C)C(N(C)C2CCOC2)C(N)C1.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine?
The InChIKey is ZQIRAJICYIUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-6-10(2)13(12(14)7-9)15(3)11-4-5-16-8-11/h9-13H,4-8,14H2,1-3H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 82734062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).