3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine

C11H26N2O — CID 103225752

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

About 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine

3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 103225752) 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-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
PubChem CID103225752
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)N(C)C(CNC)COC
InChIInChI=1S/C11H26N2O/c1-6-7-10(2)13(4)11(8-12-3)9-14-5/h10-12H,6-9H2,1-5H3
InChIKeyQCILLSPWRJMCKW-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-N-(1-methoxypropan-2-yl)-1-N,2-N-dimethylpropane-1,2-diamine
CID 103225975
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329
3-methoxy-1-N,2-N-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103226184
3-methoxy-1-N-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103226150
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
(3S)-1-methoxy-2-(methylaminomethyl)hexan-3-ol
CID 163700719
N-(1-methoxypropan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 62429833
N-(4-methoxybutan-2-yl)-N,N',2-trimethylpropane-1,3-diamine
CID 106915876
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine (CID 103225752) is 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)N(C)C(CNC)COC.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is QCILLSPWRJMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-7-10(2)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-pentan-2-ylpropane-1,2-diamine?
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 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-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 103225752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).