N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine

C15H29N3 — CID 65173232

IUPACN-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
SMILESCCCCCCCCCn1c(CNC)cnc1C
InChIInChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-18-14(2)17-13-15(18)12-16-3/h13,16H,4-12H2,1-3H3
InChIKeyDONSQQNRPUNOLS-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.66
Rot. Bonds10

About N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine

N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine (PubChem CID 65173232) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
PubChem CID65173232
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
SMILESCCCCCCCCCn1c(CNC)cnc1C
InChIInChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-18-14(2)17-13-15(18)12-16-3/h13,16H,4-12H2,1-3H3
InChIKeyDONSQQNRPUNOLS-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.66
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 N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine (CID 65173232) is N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine is CCCCCCCCCn1c(CNC)cnc1C.
What is the InChIKey of N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine?
The InChIKey is DONSQQNRPUNOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-18-14(2)17-13-15(18)12-16-3/h13,16H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine?
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine has a molecular weight of 251.42 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine is sourced from PubChem (CID 65173232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).