4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide

C11H24N2O — CID 62663118

IUPAC4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)5-6-11(14)13-8-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyANQXDOMQYPXRPO-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.54
Rot. Bonds7

About 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide

4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 62663118) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID62663118
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide
SMILESCC(C)CCC(=O)NCCNC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)5-6-11(14)13-8-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyANQXDOMQYPXRPO-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide (CID 62663118) is 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide is CC(C)CCC(=O)NCCNC(C)C.
What is the InChIKey of 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is ANQXDOMQYPXRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)5-6-11(14)13-8-7-12-10(3)4/h9-10,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide?
4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 62663118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).