N-(2-aminopropyl)-2-ethylbutanamide

C9H20N2O — CID 63732725

IUPACN-(2-aminopropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)N
InChIInChI=1S/C9H20N2O/c1-4-8(5-2)9(12)11-6-7(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYTBMINUNAHLKNH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds5

About N-(2-aminopropyl)-2-ethylbutanamide

N-(2-aminopropyl)-2-ethylbutanamide (PubChem CID 63732725) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(2-aminopropyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2-ethylbutanamide
PubChem CID63732725
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(2-aminopropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)N
InChIInChI=1S/C9H20N2O/c1-4-8(5-2)9(12)11-6-7(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyYTBMINUNAHLKNH-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-ethylbutanamide
CID 64541693
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
N-(2-aminopentyl)-2-ethylbutanamide
CID 115737781
2-[[[(2R)-2-aminopropanoyl]amino]methyl]butanoic acid
CID 65224335
N-[2-(diethylamino)propyl]-2-ethylbutanamide
CID 78883396
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
5-(2-ethylbutanoylamino)-4-methylpentanoic acid
CID 82010608
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593762
2-[(2-aminobutanoylamino)methyl]butanoic acid
CID 65224441

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2-ethylbutanamide?
The IUPAC name of N-(2-aminopropyl)-2-ethylbutanamide (CID 63732725) is N-(2-aminopropyl)-2-ethylbutanamide.
What is the SMILES notation for N-(2-aminopropyl)-2-ethylbutanamide?
The canonical SMILES for N-(2-aminopropyl)-2-ethylbutanamide is CCC(CC)C(=O)NCC(C)N.
What is the InChIKey of N-(2-aminopropyl)-2-ethylbutanamide?
The InChIKey is YTBMINUNAHLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-8(5-2)9(12)11-6-7(3)10/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-(2-aminopropyl)-2-ethylbutanamide?
N-(2-aminopropyl)-2-ethylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2-ethylbutanamide is sourced from PubChem (CID 63732725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).