2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide

C14H29N3O2 — CID 106235054

IUPAC2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCCCC(N)=O
InChIInChI=1S/C14H29N3O2/c1-3-8-14(11-15,9-4-2)13(19)17-10-6-5-7-12(16)18/h3-11,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCWQCYIYEVOOUPY-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.30
Rot. Bonds11

About 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide

2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide (PubChem CID 106235054) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide
PubChem CID106235054
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCCCCC(N)=O
InChIInChI=1S/C14H29N3O2/c1-3-8-14(11-15,9-4-2)13(19)17-10-6-5-7-12(16)18/h3-11,15H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCWQCYIYEVOOUPY-UHFFFAOYSA-N
XLogP1.30
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.30
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

11-(propanoylamino)undecanamide
CID 89244012
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228
2-(aminomethyl)-2-ethyl-N-(4-methylsulfanylbutyl)butanamide
CID 115760384
6-(octylcarbamoylamino)hexanamide
CID 11833003
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpentanamide
CID 63330537
N'-octylhexanediamide
CID 18377759
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
CID 175966813
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpentanamide
CID 80682163
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide (CID 106235054) is 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NCCCCC(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide?
The InChIKey is CWQCYIYEVOOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-8-14(11-15,9-4-2)13(19)17-10-6-5-7-12(16)18/h3-11,15H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide?
2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 1.30, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-amino-5-oxopentyl)-2-propylpentanamide is sourced from PubChem (CID 106235054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).