N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine

C16H31N3 — CID 63292288

IUPACN-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1nccn1C
InChIInChI=1S/C16H31N3/c1-4-6-8-10-15(11-9-7-5-2)18-14-16-17-12-13-19(16)3/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyHDIYZHYBZANJNN-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds11

About N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine

N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine (PubChem CID 63292288) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
PubChem CID63292288
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1nccn1C
InChIInChI=1S/C16H31N3/c1-4-6-8-10-15(11-9-7-5-2)18-14-16-17-12-13-19(16)3/h12-13,15,18H,4-11,14H2,1-3H3
InChIKeyHDIYZHYBZANJNN-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
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

1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
2-[(1-methylimidazol-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711534
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]undecan-6-amine
CID 103907121
1-butyl-3-[(1-methylimidazol-2-yl)methyl]thiourea
CID 116508535
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
2-butyl-1-methylimidazole;fluoroform
CID 162050255
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine (CID 63292288) is N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine is CCCCCC(CCCCC)NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine?
The InChIKey is HDIYZHYBZANJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-6-8-10-15(11-9-7-5-2)18-14-16-17-12-13-19(16)3/h12-13,15,18H,4-11,14H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine?
N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine has a molecular weight of 265.44 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine is sourced from PubChem (CID 63292288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).