3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine

C19H37N3 — CID 54102720

IUPAC3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(C)c(C)n1CCCN
InChIInChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-14-19-21-17(2)18(3)22(19)16-13-15-20/h4-16,20H2,1-3H3
InChIKeyNBQAVMJRJJPTHR-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.92
Rot. Bonds13

About 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine

3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine (PubChem CID 54102720) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
PubChem CID54102720
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(C)c(C)n1CCCN
InChIInChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-14-19-21-17(2)18(3)22(19)16-13-15-20/h4-16,20H2,1-3H3
InChIKeyNBQAVMJRJJPTHR-UHFFFAOYSA-N
XLogP4.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
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 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine (CID 54102720) is 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine is CCCCCCCCCCCc1nc(C)c(C)n1CCCN.
What is the InChIKey of 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine?
The InChIKey is NBQAVMJRJJPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-4-5-6-7-8-9-10-11-12-14-19-21-17(2)18(3)22(19)16-13-15-20/h4-16,20H2,1-3H3.
What are the key properties of 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine?
3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine has a molecular weight of 307.53 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-undecylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 54102720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).