N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine

C15H29N3 — CID 82902583

IUPACN-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(NC)c1cncn1C
InChIInChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-14(16-2)15-12-17-13-18(15)3/h12-14,16H,4-11H2,1-3H3
InChIKeyHORQDMPFNIRPMJ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.82
Rot. Bonds10

About N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine

N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine (PubChem CID 82902583) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
PubChem CID82902583
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(NC)c1cncn1C
InChIInChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-14(16-2)15-12-17-13-18(15)3/h12-14,16H,4-11H2,1-3H3
InChIKeyHORQDMPFNIRPMJ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
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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Related Compounds

N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
1-(3-methylimidazol-4-yl)pentylhydrazine
CID 105264511
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
CID 107974273
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine (CID 82902583) is N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine is CCCCCCCCCC(NC)c1cncn1C.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine?
The InChIKey is HORQDMPFNIRPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-5-6-7-8-9-10-11-14(16-2)15-12-17-13-18(15)3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine?
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine is sourced from PubChem (CID 82902583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).