1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C11H24N2O — CID 107505670

IUPAC1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)CC1CCC1
InChIInChI=1S/C11H24N2O/c1-12-11(9-14-3)8-13(2)7-10-5-4-6-10/h10-12H,4-9H2,1-3H3
InChIKeyCJBKLBSTCABPKA-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.95
Rot. Bonds7

About 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 107505670) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID107505670
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(COC)CN(C)CC1CCC1
InChIInChI=1S/C11H24N2O/c1-12-11(9-14-3)8-13(2)7-10-5-4-6-10/h10-12H,4-9H2,1-3H3
InChIKeyCJBKLBSTCABPKA-UHFFFAOYSA-N
XLogP0.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
1-N-[2-(cyclopropylmethoxy)ethyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505898
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 113448127
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 107505772
3-methoxy-1-N-methyl-1-N-(oxan-4-ylmethyl)-2-N-propylpropane-1,2-diamine
CID 107505775
4-cyclopentyl-1-methoxy-N-methylbutan-2-amine
CID 62320367
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142
3-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64787425
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 107505670) is 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNC(COC)CN(C)CC1CCC1.
What is the InChIKey of 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is CJBKLBSTCABPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-12-11(9-14-3)8-13(2)7-10-5-4-6-10/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 107505670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).