2-(3-aminopropylamino)-N-pentan-3-ylpropanamide

C11H25N3O — CID 62275033

IUPAC2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCN
InChIInChI=1S/C11H25N3O/c1-4-10(5-2)14-11(15)9(3)13-8-6-7-12/h9-10,13H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyIMBMCJNHJZXJJD-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.62
Rot. Bonds8

About 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide

2-(3-aminopropylamino)-N-pentan-3-ylpropanamide (PubChem CID 62275033) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
PubChem CID62275033
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCCCN
InChIInChI=1S/C11H25N3O/c1-4-10(5-2)14-11(15)9(3)13-8-6-7-12/h9-10,13H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyIMBMCJNHJZXJJD-UHFFFAOYSA-N
XLogP0.62
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylhexylamino)-N-pentan-3-ylpropanamide
CID 79003313
2-(7-methyloctylamino)-N-pentan-3-ylpropanamide
CID 107814906
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
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-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide (CID 62275033) is 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCCCN.
What is the InChIKey of 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide?
The InChIKey is IMBMCJNHJZXJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-10(5-2)14-11(15)9(3)13-8-6-7-12/h9-10,13H,4-8,12H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide?
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62275033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).