3-amino-N-(2-ethylpentyl)propanamide

C10H22N2O — CID 18349101

IUPAC3-amino-N-(2-ethylpentyl)propanamide
SMILESCCCC(CC)CNC(=O)CCN
InChIInChI=1S/C10H22N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyVCABNNUVRZCLAO-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds7

About 3-amino-N-(2-ethylpentyl)propanamide

3-amino-N-(2-ethylpentyl)propanamide (PubChem CID 18349101) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-N-(2-ethylpentyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylpentyl)propanamide
PubChem CID18349101
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-amino-N-(2-ethylpentyl)propanamide
SMILESCCCC(CC)CNC(=O)CCN
InChIInChI=1S/C10H22N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyVCABNNUVRZCLAO-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylpentyl)propanamide?
The IUPAC name of 3-amino-N-(2-ethylpentyl)propanamide (CID 18349101) is 3-amino-N-(2-ethylpentyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-ethylpentyl)propanamide?
The canonical SMILES for 3-amino-N-(2-ethylpentyl)propanamide is CCCC(CC)CNC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-ethylpentyl)propanamide?
The InChIKey is VCABNNUVRZCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-9(4-2)8-12-10(13)6-7-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-N-(2-ethylpentyl)propanamide?
3-amino-N-(2-ethylpentyl)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylpentyl)propanamide is sourced from PubChem (CID 18349101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).