7-amino-N-(3-imidazol-1-ylpropyl)heptanamide

C13H24N4O — CID 28994147

IUPAC7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
SMILESNCCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c14-7-4-2-1-3-6-13(18)16-8-5-10-17-11-9-15-12-17/h9,11-12H,1-8,10,14H2,(H,16,18)
InChIKeyFJLMPUKQJCLJJL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds10

About 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide

7-amino-N-(3-imidazol-1-ylpropyl)heptanamide (PubChem CID 28994147) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
PubChem CID28994147
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
SMILESNCCCCCCC(=O)NCCCn1ccnc1
InChIInChI=1S/C13H24N4O/c14-7-4-2-1-3-6-13(18)16-8-5-10-17-11-9-15-12-17/h9,11-12H,1-8,10,14H2,(H,16,18)
InChIKeyFJLMPUKQJCLJJL-UHFFFAOYSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
CID 61325108
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
3-imidazol-1-ylpropylurea
CID 22179621
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
2-(2-aminoethoxy)-N-(4-imidazol-1-ylbutyl)acetamide
CID 79478466
N-(2-aminoethyl)-5-[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]-4,4-bis[[3-(3-imidazol-1-ylpropylamino)-3-oxopropoxy]methyl]pentanamide
CID 25026789
7-amino-N-(3-pyrazol-1-ylpropyl)heptanamide;hydrochloride
CID 119709906
3-amino-N-(3-imidazol-1-ylpropyl)-3-methylbutanamide
CID 64686152

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide?
The IUPAC name of 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide (CID 28994147) is 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide?
The canonical SMILES for 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide is NCCCCCCC(=O)NCCCn1ccnc1.
What is the InChIKey of 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide?
The InChIKey is FJLMPUKQJCLJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-7-4-2-1-3-6-13(18)16-8-5-10-17-11-9-15-12-17/h9,11-12H,1-8,10,14H2,(H,16,18).
What are the key properties of 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide?
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide has a molecular weight of 252.36 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-imidazol-1-ylpropyl)heptanamide is sourced from PubChem (CID 28994147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).