2-(aminomethyl)-4-ethylhexanamide

C9H20N2O — CID 62313240

IUPAC2-(aminomethyl)-4-ethylhexanamide
SMILESCCC(CC)CC(CN)C(N)=O
InChIInChI=1S/C9H20N2O/c1-3-7(4-2)5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyQYTVVPRUIZRORW-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.87
Rot. Bonds6

About 2-(aminomethyl)-4-ethylhexanamide

2-(aminomethyl)-4-ethylhexanamide (PubChem CID 62313240) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethylhexanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethylhexanamide
PubChem CID62313240
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-(aminomethyl)-4-ethylhexanamide
SMILESCCC(CC)CC(CN)C(N)=O
InChIInChI=1S/C9H20N2O/c1-3-7(4-2)5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H2,11,12)
InChIKeyQYTVVPRUIZRORW-UHFFFAOYSA-N
XLogP0.87
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethylhexanamide?
The IUPAC name of 2-(aminomethyl)-4-ethylhexanamide (CID 62313240) is 2-(aminomethyl)-4-ethylhexanamide.
What is the SMILES notation for 2-(aminomethyl)-4-ethylhexanamide?
The canonical SMILES for 2-(aminomethyl)-4-ethylhexanamide is CCC(CC)CC(CN)C(N)=O.
What is the InChIKey of 2-(aminomethyl)-4-ethylhexanamide?
The InChIKey is QYTVVPRUIZRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-7(4-2)5-8(6-10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H2,11,12).
What are the key properties of 2-(aminomethyl)-4-ethylhexanamide?
2-(aminomethyl)-4-ethylhexanamide has a molecular weight of 172.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethylhexanamide is sourced from PubChem (CID 62313240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).