3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine

C12H28N2O — CID 62985674

IUPAC3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
SMILESCOCCCN(C)C(C(C)N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(13)11(12(2,3)4)14(5)8-7-9-15-6/h10-11H,7-9,13H2,1-6H3
InChIKeyJXNKLMKTFCTXNY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.72
Rot. Bonds6

About 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine

3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine (PubChem CID 62985674) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
PubChem CID62985674
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
SMILESCOCCCN(C)C(C(C)N)C(C)(C)C
InChIInChI=1S/C12H28N2O/c1-10(13)11(12(2,3)4)14(5)8-7-9-15-6/h10-11H,7-9,13H2,1-6H3
InChIKeyJXNKLMKTFCTXNY-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
1-N-(3-methoxypropyl)-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55142037
3-N,4,4-trimethyl-3-N-(2-phenylethyl)pentane-2,3-diamine
CID 65482929
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
CID 104710985
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
3-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63009569
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
CID 107198399
1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
CID 82948918
2-N-(3-methoxypropyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63008851
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine?
The IUPAC name of 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine (CID 62985674) is 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine.
What is the SMILES notation for 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine?
The canonical SMILES for 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine is COCCCN(C)C(C(C)N)C(C)(C)C.
What is the InChIKey of 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine?
The InChIKey is JXNKLMKTFCTXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-10(13)11(12(2,3)4)14(5)8-7-9-15-6/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine?
3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine is sourced from PubChem (CID 62985674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).