7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide

C12H22N4O — CID 113267585

IUPAC7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c13-7-4-2-1-3-5-12(17)16-8-6-11-14-9-10-15-11/h9-10H,1-8,13H2,(H,14,15)(H,16,17)
InChIKeyKYSBGDNXOJSRGW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.98
Rot. Bonds9

About 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide

7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide (PubChem CID 113267585) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
PubChem CID113267585
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C12H22N4O/c13-7-4-2-1-3-5-12(17)16-8-6-11-14-9-10-15-11/h9-10H,1-8,13H2,(H,14,15)(H,16,17)
InChIKeyKYSBGDNXOJSRGW-UHFFFAOYSA-N
XLogP0.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.98
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

6-acetamido-N-[2-(1H-imidazol-2-yl)ethyl]hexanamide
CID 115649646
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
4-ethoxy-N-[2-(1H-imidazol-2-yl)ethyl]butanamide
CID 115620196
N-[2-(1H-imidazol-2-yl)ethyl]-3-methoxypropanamide
CID 115668473
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
1-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 115741048
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-(2-aminophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 113315085
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
6-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]hexanamide
CID 106397822

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide (CID 113267585) is 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide is NCCCCCCC(=O)NCCc1ncc[nH]1.
What is the InChIKey of 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide?
The InChIKey is KYSBGDNXOJSRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-7-4-2-1-3-5-12(17)16-8-6-11-14-9-10-15-11/h9-10H,1-8,13H2,(H,14,15)(H,16,17).
What are the key properties of 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide?
7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide has a molecular weight of 238.33 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(1H-imidazol-2-yl)ethyl]heptanamide is sourced from PubChem (CID 113267585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).