2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine

C15H32N2O — CID 113481753

IUPAC2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCOC(C)C(C)(CN)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-12(18-6)15(4,11-16)17(5)13-7-9-14(2,3)10-8-13/h12-13H,7-11,16H2,1-6H3
InChIKeyUVDFNMLTFNHJFC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds5

About 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine

2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 113481753) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
PubChem CID113481753
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCOC(C)C(C)(CN)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-12(18-6)15(4,11-16)17(5)13-7-9-14(2,3)10-8-13/h12-13H,7-11,16H2,1-6H3
InChIKeyUVDFNMLTFNHJFC-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine with MolForge

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Related Compounds

3-N-(4,4-dimethylcyclohexyl)-3-N,2,3-trimethylbutane-2,3-diamine
CID 20707077
2-N-(1-ethylpiperidin-4-yl)-2-N,2,3-trimethylbutane-1,2-diamine
CID 55004117
2-N-butan-2-yl-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179836
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
3-[(4,4-dimethylcyclohexyl)-methylamino]-3-methylbutanoic acid
CID 110838605
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
2-N-cyclopentyl-2-N,2,5-trimethylhexane-1,2-diamine
CID 43267042
2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179062
(2S)-1-[(4,4-dimethylcyclohexyl)-methylamino]propan-2-ol
CID 103935271
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 103226992
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine (CID 113481753) is 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine is COC(C)C(C)(CN)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is UVDFNMLTFNHJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(18-6)15(4,11-16)17(5)13-7-9-14(2,3)10-8-13/h12-13H,7-11,16H2,1-6H3.
What are the key properties of 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine?
2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,4-dimethylcyclohexyl)-3-methoxy-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 113481753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).