2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide

C14H27N3O — CID 113407004

IUPAC2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCCCC(C)(C)C#N
InChIInChI=1S/C14H27N3O/c1-11(2)9-17-13(18)12(3)16-8-6-7-14(4,5)10-15/h11-12,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyMEKYCBSWJOFANH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.07
Rot. Bonds8

About 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide

2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113407004) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113407004
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCCCC(C)(C)C#N
InChIInChI=1S/C14H27N3O/c1-11(2)9-17-13(18)12(3)16-8-6-7-14(4,5)10-15/h11-12,16H,6-9H2,1-5H3,(H,17,18)
InChIKeyMEKYCBSWJOFANH-UHFFFAOYSA-N
XLogP2.07
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-(2-methylpropyl)propanamide
CID 106711557
2-[3-(2-methylpropoxy)propylamino]-N-(2-methylpropyl)propanamide
CID 103604221
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-chloro-4-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)benzamide
CID 75378798
2,2-dimethyl-6-(5-methylhexan-2-ylamino)hexanenitrile
CID 106709341
6-(4-hydroxypentan-2-ylamino)-2,2-dimethylhexanenitrile
CID 106709557
2-[(2-amino-2-oxoethyl)amino]-N-(2-methylpropyl)propanamide
CID 43089259
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262
2,2-dimethyl-5-(octan-2-ylamino)pentanenitrile
CID 65254309

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide (CID 113407004) is 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCCCC(C)(C)C#N.
What is the InChIKey of 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is MEKYCBSWJOFANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)9-17-13(18)12(3)16-8-6-7-14(4,5)10-15/h11-12,16H,6-9H2,1-5H3,(H,17,18).
What are the key properties of 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide?
2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113407004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).