4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine

C13H26N2O — CID 79120784

IUPAC4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCC1CC(N(C)C2CCC(N)CC2)CCO1
InChIInChI=1S/C13H26N2O/c1-10-9-13(7-8-16-10)15(2)12-5-3-11(14)4-6-12/h10-13H,3-9,14H2,1-2H3
InChIKeyRKCVLRSEWOMHHI-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds2

About 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine (PubChem CID 79120784) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine
PubChem CID79120784
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCC1CC(N(C)C2CCC(N)CC2)CCO1
InChIInChI=1S/C13H26N2O/c1-10-9-13(7-8-16-10)15(2)12-5-3-11(14)4-6-12/h10-13H,3-9,14H2,1-2H3
InChIKeyRKCVLRSEWOMHHI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-(2,2-dimethyloxan-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79113521
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
4-N-(1,1-dioxothian-4-yl)-4-N-methylcyclohexane-1,4-diamine
CID 79121119
1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
CID 82746077
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
[(2S,4R)-2-methyloxan-4-yl]methanamine
CID 95335813
N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
CID 79750899
4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
CID 79115915
4-N,4-N-dimethylcyclohexane-1,4-diamine;dihydrate
CID 175142686

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine (CID 79120784) is 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine is CC1CC(N(C)C2CCC(N)CC2)CCO1.
What is the InChIKey of 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine?
The InChIKey is RKCVLRSEWOMHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-9-13(7-8-16-10)15(2)12-5-3-11(14)4-6-12/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methyloxan-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79120784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).