3-(ethylamino)-5-methylhexanamide

C9H20N2O — CID 64989014

IUPAC3-(ethylamino)-5-methylhexanamide
SMILESCCNC(CC(N)=O)CC(C)C
InChIInChI=1S/C9H20N2O/c1-4-11-8(5-7(2)3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyQMYWLHHNWANILM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds6

About 3-(ethylamino)-5-methylhexanamide

3-(ethylamino)-5-methylhexanamide (PubChem CID 64989014) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(ethylamino)-5-methylhexanamide.

Molecular Properties

Compound Name3-(ethylamino)-5-methylhexanamide
PubChem CID64989014
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(ethylamino)-5-methylhexanamide
SMILESCCNC(CC(N)=O)CC(C)C
InChIInChI=1S/C9H20N2O/c1-4-11-8(5-7(2)3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyQMYWLHHNWANILM-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-methylhexanamide?
The IUPAC name of 3-(ethylamino)-5-methylhexanamide (CID 64989014) is 3-(ethylamino)-5-methylhexanamide.
What is the SMILES notation for 3-(ethylamino)-5-methylhexanamide?
The canonical SMILES for 3-(ethylamino)-5-methylhexanamide is CCNC(CC(N)=O)CC(C)C.
What is the InChIKey of 3-(ethylamino)-5-methylhexanamide?
The InChIKey is QMYWLHHNWANILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-11-8(5-7(2)3)6-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-(ethylamino)-5-methylhexanamide?
3-(ethylamino)-5-methylhexanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-methylhexanamide is sourced from PubChem (CID 64989014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).