12-(1H-imidazol-5-yl)dodecan-1-amine

C15H29N3 — CID 11459394

IUPAC12-(1H-imidazol-5-yl)dodecan-1-amine
SMILESNCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C15H29N3/c16-12-10-8-6-4-2-1-3-5-7-9-11-15-13-17-14-18-15/h13-14H,1-12,16H2,(H,17,18)
InChIKeyIPTWWGFBGODTAQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.81
Rot. Bonds12

About 12-(1H-imidazol-5-yl)dodecan-1-amine

12-(1H-imidazol-5-yl)dodecan-1-amine (PubChem CID 11459394) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 12-(1H-imidazol-5-yl)dodecan-1-amine.

Molecular Properties

Compound Name12-(1H-imidazol-5-yl)dodecan-1-amine
PubChem CID11459394
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name12-(1H-imidazol-5-yl)dodecan-1-amine
SMILESNCCCCCCCCCCCCc1cnc[nH]1
InChIInChI=1S/C15H29N3/c16-12-10-8-6-4-2-1-3-5-7-9-11-15-13-17-14-18-15/h13-14H,1-12,16H2,(H,17,18)
InChIKeyIPTWWGFBGODTAQ-UHFFFAOYSA-N
XLogP3.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 12-(1H-imidazol-5-yl)dodecan-1-amine?
The IUPAC name of 12-(1H-imidazol-5-yl)dodecan-1-amine (CID 11459394) is 12-(1H-imidazol-5-yl)dodecan-1-amine.
What is the SMILES notation for 12-(1H-imidazol-5-yl)dodecan-1-amine?
The canonical SMILES for 12-(1H-imidazol-5-yl)dodecan-1-amine is NCCCCCCCCCCCCc1cnc[nH]1.
What is the InChIKey of 12-(1H-imidazol-5-yl)dodecan-1-amine?
The InChIKey is IPTWWGFBGODTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-12-10-8-6-4-2-1-3-5-7-9-11-15-13-17-14-18-15/h13-14H,1-12,16H2,(H,17,18).
What are the key properties of 12-(1H-imidazol-5-yl)dodecan-1-amine?
12-(1H-imidazol-5-yl)dodecan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.81, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1H-imidazol-5-yl)dodecan-1-amine is sourced from PubChem (CID 11459394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).