3-amino-N-[1-(ethylamino)propan-2-yl]propanamide

C8H19N3O — CID 88939970

IUPAC3-amino-N-[1-(ethylamino)propan-2-yl]propanamide
SMILESCCNCC(C)NC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-3-10-6-7(2)11-8(12)4-5-9/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyOCTSUADSIDSJCC-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.55
Rot. Bonds6

About 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide

3-amino-N-[1-(ethylamino)propan-2-yl]propanamide (PubChem CID 88939970) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(ethylamino)propan-2-yl]propanamide
PubChem CID88939970
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name3-amino-N-[1-(ethylamino)propan-2-yl]propanamide
SMILESCCNCC(C)NC(=O)CCN
InChIInChI=1S/C8H19N3O/c1-3-10-6-7(2)11-8(12)4-5-9/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyOCTSUADSIDSJCC-UHFFFAOYSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-butan-2-ylpropanamide
CID 16784988
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
3-amino-N-(2-methylpentan-3-yl)propanamide
CID 61472687
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
tert-butyl N-[(2R)-1-(ethylamino)propan-2-yl]carbamate
CID 71301755
N-(4-aminobutan-2-yl)octanamide
CID 62087208
3-(3-aminopropanoylamino)-4-methylpentanoic acid
CID 115558661
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
N-(6-aminohexan-2-yl)octanamide
CID 123172105
3-(ethylamino)-2-methylpropanamide
CID 43311981
N-[2-(propanoylamino)propyl]propanamide
CID 3569677

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide (CID 88939970) is 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide is CCNCC(C)NC(=O)CCN.
What is the InChIKey of 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide?
The InChIKey is OCTSUADSIDSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-3-10-6-7(2)11-8(12)4-5-9/h7,10H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide?
3-amino-N-[1-(ethylamino)propan-2-yl]propanamide has a molecular weight of 173.26 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(ethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 88939970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).