(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide

C12H27N3O — CID 61147751

IUPAC(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)[C@H](C)N
InChIInChI=1S/C12H27N3O/c1-5-15(6-2)9-7-8-10(3)14-12(16)11(4)13/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyYDXVGWGFLSXDFX-DTIOYNMSSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide

(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide (PubChem CID 61147751) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
PubChem CID61147751
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
SMILESCCN(CC)CCCC(C)NC(=O)[C@H](C)N
InChIInChI=1S/C12H27N3O/c1-5-15(6-2)9-7-8-10(3)14-12(16)11(4)13/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyYDXVGWGFLSXDFX-DTIOYNMSSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-2-sulfanylpropanamide
CID 107020634
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
4-[5-(diethylamino)pentan-2-ylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496126
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
3-[5-(diethylamino)pentan-2-yl]-1-ethyl-1-methylurea
CID 116653954
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
2-amino-N-[5-(diethylamino)pentan-2-yl]-2-methylbutanamide
CID 79797132
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
N,N-diethyl-4-hydrazinylpentan-1-amine
CID 143055875
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide (CID 61147751) is (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide is CCN(CC)CCCC(C)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide?
The InChIKey is YDXVGWGFLSXDFX-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-15(6-2)9-7-8-10(3)14-12(16)11(4)13/h10-11H,5-9,13H2,1-4H3,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide?
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide is sourced from PubChem (CID 61147751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).