2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide

C13H28N2O — CID 60745845

IUPAC2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCNC(C)C(=O)NCC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)7-6-8-14-12(5)13(16)15-9-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyDWUZWTQHAVJBGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds8

About 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide

2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide (PubChem CID 60745845) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
PubChem CID60745845
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CCCNC(C)C(=O)NCC(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)7-6-8-14-12(5)13(16)15-9-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16)
InChIKeyDWUZWTQHAVJBGY-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
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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Related Compounds

2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
CID 113407004
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-(methylcarbamoylamino)-N-(2-methylpropyl)propanamide
CID 116657715

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide (CID 60745845) is 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide is CC(C)CCCNC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is DWUZWTQHAVJBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)7-6-8-14-12(5)13(16)15-9-11(3)4/h10-12,14H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide?
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60745845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).