1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine

C14H28N2O — CID 114240632

IUPAC1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCOCC2C)CC1
InChIInChI=1S/C14H28N2O/c1-11-10-17-9-8-14(11)16(3)13-6-4-12(15-2)5-7-13/h11-15H,4-10H2,1-3H3
InChIKeySOZYMRVWXFEVCP-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine (PubChem CID 114240632) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine
PubChem CID114240632
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCOCC2C)CC1
InChIInChI=1S/C14H28N2O/c1-11-10-17-9-8-14(11)16(3)13-6-4-12(15-2)5-7-13/h11-15H,4-10H2,1-3H3
InChIKeySOZYMRVWXFEVCP-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 81314437
1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
CID 79902825
4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122769
1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
CID 114763514
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
N-methyl-N-(4-methylcyclohexyl)oxetan-3-amine
CID 131177043
3-N-tert-butyl-3-N,4-N-dimethyloxane-3,4-diamine
CID 130834147
N,4-dimethyl-N-(oxan-4-yl)piperidin-3-amine
CID 66271355
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-(3-methoxyoxan-4-yl)-N-methylpiperidin-4-amine;dihydrochloride
CID 162328763
4-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 114762511
4-N-tert-butyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 117029205

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine (CID 114240632) is 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)C2CCOCC2C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine?
The InChIKey is SOZYMRVWXFEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-10-17-9-8-14(11)16(3)13-6-4-12(15-2)5-7-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(3-methyloxan-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).