1-(1-decylimidazol-2-yl)butan-2-amine

C17H33N3 — CID 63095303

IUPAC1-(1-decylimidazol-2-yl)butan-2-amine
SMILESCCCCCCCCCCn1ccnc1CC(N)CC
InChIInChI=1S/C17H33N3/c1-3-5-6-7-8-9-10-11-13-20-14-12-19-17(20)15-16(18)4-2/h12,14,16H,3-11,13,15,18H2,1-2H3
InChIKeyUXRVMCDPNIESCQ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.30
Rot. Bonds12

About 1-(1-decylimidazol-2-yl)butan-2-amine

1-(1-decylimidazol-2-yl)butan-2-amine (PubChem CID 63095303) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-decylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-decylimidazol-2-yl)butan-2-amine
PubChem CID63095303
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1-decylimidazol-2-yl)butan-2-amine
SMILESCCCCCCCCCCn1ccnc1CC(N)CC
InChIInChI=1S/C17H33N3/c1-3-5-6-7-8-9-10-11-13-20-14-12-19-17(20)15-16(18)4-2/h12,14,16H,3-11,13,15,18H2,1-2H3
InChIKeyUXRVMCDPNIESCQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1,2-di(pentadecyl)imidazole
CID 69388452
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
CID 82009899
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1-dodecyl-2-(methoxymethyl)imidazole
CID 102458627
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060

Frequently Asked Questions

What is the IUPAC name of 1-(1-decylimidazol-2-yl)butan-2-amine?
The IUPAC name of 1-(1-decylimidazol-2-yl)butan-2-amine (CID 63095303) is 1-(1-decylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 1-(1-decylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 1-(1-decylimidazol-2-yl)butan-2-amine is CCCCCCCCCCn1ccnc1CC(N)CC.
What is the InChIKey of 1-(1-decylimidazol-2-yl)butan-2-amine?
The InChIKey is UXRVMCDPNIESCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-5-6-7-8-9-10-11-13-20-14-12-19-17(20)15-16(18)4-2/h12,14,16H,3-11,13,15,18H2,1-2H3.
What are the key properties of 1-(1-decylimidazol-2-yl)butan-2-amine?
1-(1-decylimidazol-2-yl)butan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-decylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 63095303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).