3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

C11H26N2O — CID 103226184

IUPAC3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCNCC(COC)N(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(8-12-3)9-14-5/h10-12H,6-9H2,1-5H3
InChIKeyKJNZLJBVVRCVOX-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.20
Rot. Bonds8

About 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine

3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 103226184) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID103226184
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCNCC(COC)N(C)CCC(C)C
InChIInChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(8-12-3)9-14-5/h10-12H,6-9H2,1-5H3
InChIKeyKJNZLJBVVRCVOX-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227178
3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
3-methoxy-2-N-methyl-1-N-(2-methylpropyl)-2-N-pentylpropane-1,2-diamine
CID 103225627
2-N-benzyl-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225288
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 142902659
2-N-(2-methoxyethyl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 62447079
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
2-N-[(4-chlorophenyl)methyl]-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225025
3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103226150

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine (CID 103226184) is 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is CNCC(COC)N(C)CCC(C)C.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is KJNZLJBVVRCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2)6-7-13(4)11(8-12-3)9-14-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine?
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine is sourced from PubChem (CID 103226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).