5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide

C13H29N3O — CID 102992814

IUPAC5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CCCN(C)C)C(=O)CCC(C)CN
InChIInChI=1S/C13H29N3O/c1-5-16(10-6-9-15(3)4)13(17)8-7-12(2)11-14/h12H,5-11,14H2,1-4H3
InChIKeyOCCKUSWXNNXJQQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.16
Rot. Bonds9

About 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide

5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide (PubChem CID 102992814) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
PubChem CID102992814
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CCCN(C)C)C(=O)CCC(C)CN
InChIInChI=1S/C13H29N3O/c1-5-16(10-6-9-15(3)4)13(17)8-7-12(2)11-14/h12H,5-11,14H2,1-4H3
InChIKeyOCCKUSWXNNXJQQ-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-ethyl-N-(2-ethylbutyl)-4-methylpentanamide
CID 82011557
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
N',N'-bis[3-(dimethylamino)propyl]pentanediamide
CID 141463715
N,N-bis[3-(dimethylamino)propyl]decanamide
CID 86204992
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide (CID 102992814) is 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide is CCN(CCCN(C)C)C(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The InChIKey is OCCKUSWXNNXJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16(10-6-9-15(3)4)13(17)8-7-12(2)11-14/h12H,5-11,14H2,1-4H3.
What are the key properties of 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 102992814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).