(3-dodecyl-2-methylimidazol-4-yl)methanamine

C17H33N3 — CID 65173229

IUPAC(3-dodecyl-2-methylimidazol-4-yl)methanamine
SMILESCCCCCCCCCCCCn1c(CN)cnc1C
InChIInChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(2)19-15-17(20)14-18/h15H,3-14,18H2,1-2H3
InChIKeyCBYIQPOBMYEXNC-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.57
Rot. Bonds12

About (3-dodecyl-2-methylimidazol-4-yl)methanamine

(3-dodecyl-2-methylimidazol-4-yl)methanamine (PubChem CID 65173229) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is (3-dodecyl-2-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-dodecyl-2-methylimidazol-4-yl)methanamine
PubChem CID65173229
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name(3-dodecyl-2-methylimidazol-4-yl)methanamine
SMILESCCCCCCCCCCCCn1c(CN)cnc1C
InChIInChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(2)19-15-17(20)14-18/h15H,3-14,18H2,1-2H3
InChIKeyCBYIQPOBMYEXNC-UHFFFAOYSA-N
XLogP4.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.57
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

(3-hexyl-2-methylimidazol-4-yl)methanamine
CID 65172812
5-butyl-1-hexadecyl-2-methylimidazole
CID 158644637
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
[3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]methanamine
CID 104567629
1-hexyl-2,5-dimethylimidazole
CID 26794148
[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methanamine
CID 65172656
3-dodecyl-2-methylimidazole-4-carboxylic acid
CID 65173160
N-[(3-butyl-2-methylimidazol-4-yl)methyl]ethanamine
CID 65172409
1-[5-(2,5-dimethylimidazol-1-yl)pentyl]-2,5-dimethylimidazole
CID 20669177
(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173073
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
1-butyl-5-chloro-2-methylimidazole
CID 123569144

Frequently Asked Questions

What is the IUPAC name of (3-dodecyl-2-methylimidazol-4-yl)methanamine?
The IUPAC name of (3-dodecyl-2-methylimidazol-4-yl)methanamine (CID 65173229) is (3-dodecyl-2-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-dodecyl-2-methylimidazol-4-yl)methanamine?
The canonical SMILES for (3-dodecyl-2-methylimidazol-4-yl)methanamine is CCCCCCCCCCCCn1c(CN)cnc1C.
What is the InChIKey of (3-dodecyl-2-methylimidazol-4-yl)methanamine?
The InChIKey is CBYIQPOBMYEXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(2)19-15-17(20)14-18/h15H,3-14,18H2,1-2H3.
What are the key properties of (3-dodecyl-2-methylimidazol-4-yl)methanamine?
(3-dodecyl-2-methylimidazol-4-yl)methanamine has a molecular weight of 279.47 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dodecyl-2-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 65173229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).