N-[4-(4-aminobutylamino)butan-2-yl]acetamide

C10H23N3O — CID 72982838

IUPACN-[4-(4-aminobutylamino)butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCNCCCCN
InChIInChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyNCHUZACAGJBRLA-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.23
Rot. Bonds8

About N-[4-(4-aminobutylamino)butan-2-yl]acetamide

N-[4-(4-aminobutylamino)butan-2-yl]acetamide (PubChem CID 72982838) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[4-(4-aminobutylamino)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-aminobutylamino)butan-2-yl]acetamide
PubChem CID72982838
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC NameN-[4-(4-aminobutylamino)butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCNCCCCN
InChIInChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14)
InChIKeyNCHUZACAGJBRLA-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutylamino)butan-2-yl]acetamide?
The IUPAC name of N-[4-(4-aminobutylamino)butan-2-yl]acetamide (CID 72982838) is N-[4-(4-aminobutylamino)butan-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-aminobutylamino)butan-2-yl]acetamide?
The canonical SMILES for N-[4-(4-aminobutylamino)butan-2-yl]acetamide is CC(=O)NC(C)CCNCCCCN.
What is the InChIKey of N-[4-(4-aminobutylamino)butan-2-yl]acetamide?
The InChIKey is NCHUZACAGJBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-9(13-10(2)14)5-8-12-7-4-3-6-11/h9,12H,3-8,11H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(4-aminobutylamino)butan-2-yl]acetamide?
N-[4-(4-aminobutylamino)butan-2-yl]acetamide 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 N-[4-(4-aminobutylamino)butan-2-yl]acetamide is sourced from PubChem (CID 72982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).