4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine

C10H20N2O — CID 125461055

IUPAC4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1COC1
InChIInChI=1S/C10H20N2O/c1-12(10-6-13-7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3
InChIKeyFWVJLHVMLIJJLA-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.59
Rot. Bonds2

About 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine (PubChem CID 125461055) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine
PubChem CID125461055
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine
SMILESCN(C1CCC(N)CC1)C1COC1
InChIInChI=1S/C10H20N2O/c1-12(10-6-13-7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3
InChIKeyFWVJLHVMLIJJLA-UHFFFAOYSA-N
XLogP0.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine (CID 125461055) is 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine is CN(C1CCC(N)CC1)C1COC1.
What is the InChIKey of 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine?
The InChIKey is FWVJLHVMLIJJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12(10-6-13-7-10)9-4-2-8(11)3-5-9/h8-10H,2-7,11H2,1H3.
What are the key properties of 4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(oxetan-3-yl)cyclohexane-1,4-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.59, 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-(oxetan-3-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 125461055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).