2-(5-methylhexylamino)-N-pentan-3-ylpropanamide

C15H32N2O — CID 79003313

IUPAC2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-6-14(7-2)17-15(18)13(5)16-11-9-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyLPVQFTIBVLDNGT-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.10
Rot. Bonds10

About 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide

2-(5-methylhexylamino)-N-pentan-3-ylpropanamide (PubChem CID 79003313) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
PubChem CID79003313
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCCC(C)C
InChIInChI=1S/C15H32N2O/c1-6-14(7-2)17-15(18)13(5)16-11-9-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyLPVQFTIBVLDNGT-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-(7-methyloctylamino)-N-(2-methylpropyl)propanamide
CID 103604994
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide (CID 79003313) is 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCCCC(C)C.
What is the InChIKey of 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide?
The InChIKey is LPVQFTIBVLDNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-14(7-2)17-15(18)13(5)16-11-9-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide?
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide has a molecular weight of 256.43 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 79003313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).