(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide

C15H33N3O — CID 102993086

IUPAC(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C15H33N3O/c1-6-13(5)14(16)15(19)18(9-4)12-10-11-17(7-2)8-3/h13-14H,6-12,16H2,1-5H3/t13?,14-/m0/s1
InChIKeyYQJBAFRSKMKHBM-KZUDCZAMSA-N
MW271.45 g/mol
LogP1.94
Rot. Bonds10

About (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide

(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide (PubChem CID 102993086) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
PubChem CID102993086
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CC)CCCN(CC)CC
InChIInChI=1S/C15H33N3O/c1-6-13(5)14(16)15(19)18(9-4)12-10-11-17(7-2)8-3/h13-14H,6-12,16H2,1-5H3/t13?,14-/m0/s1
InChIKeyYQJBAFRSKMKHBM-KZUDCZAMSA-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

2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-methylpentanamide
CID 54880078
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
N-[3-(diethylamino)propyl]-N-ethylacetamide
CID 102998319
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
CID 107398412
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide (CID 102993086) is (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide is CCC(C)[C@H](N)C(=O)N(CC)CCCN(CC)CC.
What is the InChIKey of (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide?
The InChIKey is YQJBAFRSKMKHBM-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-13(5)14(16)15(19)18(9-4)12-10-11-17(7-2)8-3/h13-14H,6-12,16H2,1-5H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide?
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide 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 (2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide is sourced from PubChem (CID 102993086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).