3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

C12H26N2O — CID 115726744

IUPAC3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCOCC(C)NC1CCCC(N(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(9-15-4)13-11-6-5-7-12(8-11)14(2)3/h10-13H,5-9H2,1-4H3
InChIKeyHXDIZHICRZPJHC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds5

About 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine

3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (PubChem CID 115726744) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
PubChem CID115726744
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCOCC(C)NC1CCCC(N(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(9-15-4)13-11-6-5-7-12(8-11)14(2)3/h10-13H,5-9H2,1-4H3
InChIKeyHXDIZHICRZPJHC-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-methoxybutan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726742
cis-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-3-methylcyclopentan-1-amine
CID 95368713
3-N-(1-cyclopropylpropyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 115726743
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
1-N-hexan-2-yl-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897250
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
N-(1-methoxypropan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 13090556
1-N-(1-methoxypropan-2-yl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79617934
1-N,3-N-diethyl-1-N-(1-methoxypropan-2-yl)cyclohexane-1,3-diamine
CID 79618055
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
1-N-ethyl-1-N-(1-methoxypropan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79617939

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine (CID 115726744) is 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is COCC(C)NC1CCCC(N(C)C)C1.
What is the InChIKey of 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is HXDIZHICRZPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(9-15-4)13-11-6-5-7-12(8-11)14(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methoxypropan-2-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 115726744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).