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

C10H23N3O — CID 62273335

IUPAC2-(3-aminopropylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCCCN
InChIInChI=1S/C10H23N3O/c1-3-9(4-2)13-10(14)8-12-7-5-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyLIAUCKFACCIMCL-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.23
Rot. Bonds8

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

2-(3-aminopropylamino)-N-pentan-3-ylacetamide (PubChem CID 62273335) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-pentan-3-ylacetamide
PubChem CID62273335
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(3-aminopropylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNCCCN
InChIInChI=1S/C10H23N3O/c1-3-9(4-2)13-10(14)8-12-7-5-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyLIAUCKFACCIMCL-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.23
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-(3-methylsulfanylpropylamino)-N-pentan-3-ylacetamide
CID 63964494
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
4-methyl-6-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]hexanoic acid
CID 65287842
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
2-(3-aminopropylamino)acetamide
CID 59908103
(2S)-2-[[2-(dodecylamino)acetyl]amino]-3-methylbutanoic acid
CID 91122441
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
N-(3-aminopropyl)propanamide
CID 21290277

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-aminopropylamino)-N-pentan-3-ylacetamide (CID 62273335) is 2-(3-aminopropylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNCCCN.
What is the InChIKey of 2-(3-aminopropylamino)-N-pentan-3-ylacetamide?
The InChIKey is LIAUCKFACCIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-9(4-2)13-10(14)8-12-7-5-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-aminopropylamino)-N-pentan-3-ylacetamide?
2-(3-aminopropylamino)-N-pentan-3-ylacetamide has a molecular weight of 201.31 g/mol, XLogP of 0.23, 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-ylacetamide is sourced from PubChem (CID 62273335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).