2-(4-methylpentylamino)-N-pentan-2-ylpropanamide

C14H30N2O — CID 60745937

IUPAC2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-8-12(4)16-14(17)13(5)15-10-7-9-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyKGZPRFZICWTPOT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.71
Rot. Bonds9

About 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide

2-(4-methylpentylamino)-N-pentan-2-ylpropanamide (PubChem CID 60745937) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
PubChem CID60745937
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCCC(C)C
InChIInChI=1S/C14H30N2O/c1-6-8-12(4)16-14(17)13(5)15-10-7-9-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyKGZPRFZICWTPOT-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.71
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

4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010
2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide (CID 60745937) is 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCCCC(C)C.
What is the InChIKey of 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide?
The InChIKey is KGZPRFZICWTPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-8-12(4)16-14(17)13(5)15-10-7-9-11(2)3/h11-13,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide?
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide has a molecular weight of 242.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentylamino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 60745937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).