(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide

C13H29N3O — CID 102992753

IUPAC(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CCCN(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H29N3O/c1-6-16(9-7-8-15(4)5)13(17)12(14)10-11(2)3/h11-12H,6-10,14H2,1-5H3/t12-/m1/s1
InChIKeyGIGQPZYAJALQDT-GFCCVEGCSA-N
MW243.39 g/mol
LogP1.16
Rot. Bonds8

About (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide

(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide (PubChem CID 102992753) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
PubChem CID102992753
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
SMILESCCN(CCCN(C)C)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H29N3O/c1-6-16(9-7-8-15(4)5)13(17)12(14)10-11(2)3/h11-12H,6-10,14H2,1-5H3/t12-/m1/s1
InChIKeyGIGQPZYAJALQDT-GFCCVEGCSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanamide
CID 102992755
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992823
2-amino-N-[3-(dimethylamino)propyl]-N-ethylpropanamide
CID 102992838
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
2-amino-N-[3-(dimethylamino)propyl]-N-ethylbutanediamide
CID 102992798
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
6-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-methylheptanamide
CID 102992830
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
(2R)-2-amino-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 104903332
(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
CID 61164222

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide (CID 102992753) is (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide is CCN(CCCN(C)C)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
The InChIKey is GIGQPZYAJALQDT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-16(9-7-8-15(4)5)13(17)12(14)10-11(2)3/h11-12H,6-10,14H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide?
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 102992753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).