2-(aminomethyl)-4-ethyl-N-propylhexanamide

C12H26N2O — CID 62313783

IUPAC2-(aminomethyl)-4-ethyl-N-propylhexanamide
SMILESCCCNC(=O)C(CN)CC(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-14-12(15)11(9-13)8-10(5-2)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyRXOJGDXJGUGYPA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds8

About 2-(aminomethyl)-4-ethyl-N-propylhexanamide

2-(aminomethyl)-4-ethyl-N-propylhexanamide (PubChem CID 62313783) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethyl-N-propylhexanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethyl-N-propylhexanamide
PubChem CID62313783
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(aminomethyl)-4-ethyl-N-propylhexanamide
SMILESCCCNC(=O)C(CN)CC(CC)CC
InChIInChI=1S/C12H26N2O/c1-4-7-14-12(15)11(9-13)8-10(5-2)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyRXOJGDXJGUGYPA-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
2-(aminomethyl)-5-methoxy-4-methyl-N-propylpentanamide
CID 116502231
2-(aminomethyl)-4-ethylhexanamide
CID 62313240
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
(2R)-2,4-diethylhexanamide
CID 95562524
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethyl-N-propylhexanamide?
The IUPAC name of 2-(aminomethyl)-4-ethyl-N-propylhexanamide (CID 62313783) is 2-(aminomethyl)-4-ethyl-N-propylhexanamide.
What is the SMILES notation for 2-(aminomethyl)-4-ethyl-N-propylhexanamide?
The canonical SMILES for 2-(aminomethyl)-4-ethyl-N-propylhexanamide is CCCNC(=O)C(CN)CC(CC)CC.
What is the InChIKey of 2-(aminomethyl)-4-ethyl-N-propylhexanamide?
The InChIKey is RXOJGDXJGUGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-14-12(15)11(9-13)8-10(5-2)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-4-ethyl-N-propylhexanamide?
2-(aminomethyl)-4-ethyl-N-propylhexanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethyl-N-propylhexanamide is sourced from PubChem (CID 62313783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).