6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide

C15H33N3O — CID 102992830

IUPAC6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
SMILESCCN(CCCN(C)C)C(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H33N3O/c1-6-18(12-8-11-17(4)5)15(19)13(2)9-7-10-14(3)16/h13-14H,6-12,16H2,1-5H3
InChIKeyTYRSZPODJMAAFZ-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.94
Rot. Bonds10

About 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide

6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide (PubChem CID 102992830) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
PubChem CID102992830
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
SMILESCCN(CCCN(C)C)C(=O)C(C)CCCC(C)N
InChIInChI=1S/C15H33N3O/c1-6-18(12-8-11-17(4)5)15(19)13(2)9-7-10-14(3)16/h13-14H,6-12,16H2,1-5H3
InChIKeyTYRSZPODJMAAFZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
5-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992814
3-[(6-amino-2-methylheptanoyl)-methylamino]propanoic acid
CID 65291161
5-amino-N-butyl-N-ethylhexanamide
CID 82848623
5-amino-N,N-diethylhexanamide
CID 82848451
5-amino-N-[2-(dimethylamino)ethyl]-N-methylhexanamide
CID 82852143
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102995709
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide?
The IUPAC name of 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide (CID 102992830) is 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide is CCN(CCCN(C)C)C(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide?
The InChIKey is TYRSZPODJMAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-18(12-8-11-17(4)5)15(19)13(2)9-7-10-14(3)16/h13-14H,6-12,16H2,1-5H3.
What are the key properties of 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide?
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide has a molecular weight of 271.45 g/mol, XLogP of 1.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide is sourced from PubChem (CID 102992830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).