(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide

C14H31N3O — CID 79013169

IUPAC(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
SMILESCCC(CC)C(CNC(=O)[C@H](N)C(C)C)N(C)C
InChIInChI=1S/C14H31N3O/c1-7-11(8-2)12(17(5)6)9-16-14(18)13(15)10(3)4/h10-13H,7-9,15H2,1-6H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyMPUUZYLNFPBCLR-ZGTCLIOFSA-N
MW257.42 g/mol
LogP1.45
Rot. Bonds8

About (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide

(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide (PubChem CID 79013169) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
PubChem CID79013169
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
SMILESCCC(CC)C(CNC(=O)[C@H](N)C(C)C)N(C)C
InChIInChI=1S/C14H31N3O/c1-7-11(8-2)12(17(5)6)9-16-14(18)13(15)10(3)4/h10-13H,7-9,15H2,1-6H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyMPUUZYLNFPBCLR-ZGTCLIOFSA-N
XLogP1.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide
CID 116677199
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
N-[2-(dimethylamino)-3-ethylpentyl]-4-hydroxypentanamide
CID 79200682
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide (CID 79013169) is (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide is CCC(CC)C(CNC(=O)[C@H](N)C(C)C)N(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide?
The InChIKey is MPUUZYLNFPBCLR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-11(8-2)12(17(5)6)9-16-14(18)13(15)10(3)4/h10-13H,7-9,15H2,1-6H3,(H,16,18)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide?
(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide has a molecular weight of 257.42 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide is sourced from PubChem (CID 79013169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).