2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide

C12H27N3O — CID 43112397

IUPAC2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCN(C)C
InChIInChI=1S/C12H27N3O/c1-6-11(7-2)14-12(16)10(3)13-8-9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyJXLCGTOGXDRYOX-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.83
Rot. Bonds8

About 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide

2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide (PubChem CID 43112397) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
PubChem CID43112397
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCN(C)C
InChIInChI=1S/C12H27N3O/c1-6-11(7-2)14-12(16)10(3)13-8-9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyJXLCGTOGXDRYOX-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethylamino]-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-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43112399
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide (CID 43112397) is 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide?
The InChIKey is JXLCGTOGXDRYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-11(7-2)14-12(16)10(3)13-8-9-15(4)5/h10-11,13H,6-9H2,1-5H3,(H,14,16).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide?
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide has a molecular weight of 229.37 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43112397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).