2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine

C12H28N2O — CID 62458457

IUPAC2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(OCCCN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-10-12(11(2)3)15-9-7-8-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeySUMRKMVUUZPXTH-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine

2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine (PubChem CID 62458457) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
PubChem CID62458457
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine
SMILESCCNCC(OCCCN(C)C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-13-10-12(11(2)3)15-9-7-8-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeySUMRKMVUUZPXTH-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
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

N-ethyl-2-(2-methoxyethoxy)-3-methylbutan-1-amine
CID 62455982
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutan-1-amine
CID 104566729
N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
CID 106450140
N-[2-[3-(dimethylamino)propoxy]propyl]-2-methylpropan-1-amine
CID 62459512
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057
N,N-dimethyl-2-[(3R)-2-methylhexan-3-yl]oxyethanamine
CID 166870401
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 63008673
2-butoxy-N-ethylpropan-1-amine
CID 62449884
3-methyl-2-(2-propoxyethoxy)-N-propylbutan-1-amine
CID 63685150
3-methyl-N-(2-methylpropyl)-2-(2-propoxyethoxy)butan-1-amine
CID 63684978
1-N-ethyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81067503
3-[3-(dimethylamino)propoxy]-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627569

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine (CID 62458457) is 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine is CCNCC(OCCCN(C)C)C(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is SUMRKMVUUZPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-13-10-12(11(2)3)15-9-7-8-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine?
2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 62458457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).