1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine

C18H35N3 — CID 141279090

IUPAC1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(C(N)CC)c(C)[nH]1
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-17-20-15(3)18(21-17)16(19)5-2/h16H,4-14,19H2,1-3H3,(H,20,21)
InChIKeyIESNBNDOMBNJDC-UHFFFAOYSA-N
MW293.50 g/mol
LogP5.20
Rot. Bonds12

About 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine

1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine (PubChem CID 141279090) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine
PubChem CID141279090
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine
SMILESCCCCCCCCCCCc1nc(C(N)CC)c(C)[nH]1
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-17-20-15(3)18(21-17)16(19)5-2/h16H,4-14,19H2,1-3H3,(H,20,21)
InChIKeyIESNBNDOMBNJDC-UHFFFAOYSA-N
XLogP5.20
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-2-nonyl-1H-imidazol-4-yl)propan-1-amine
CID 141279115
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
2-(2-heptyl-5-methyl-1H-imidazol-4-yl)propanenitrile
CID 139791034
4-chloro-5-methyl-2-tetradecyl-1H-imidazole
CID 163997972
4-bromo-5-methyl-2-tetradecyl-1H-imidazole
CID 101319947
4-bromo-2-heptadecyl-5-methyl-1H-imidazole
CID 101319950
2-hexyl-5-methyl-1H-imidazole-4-carboxylic acid
CID 167093860
2-(2-decyl-5-ethyl-1H-imidazol-4-yl)propanenitrile
CID 139791027
2-butyl-5-methyl-1H-imidazol-4-ol
CID 67585569
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
CID 82236116
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 82236115

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine (CID 141279090) is 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine is CCCCCCCCCCCc1nc(C(N)CC)c(C)[nH]1.
What is the InChIKey of 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine?
The InChIKey is IESNBNDOMBNJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-12-13-14-17-20-15(3)18(21-17)16(19)5-2/h16H,4-14,19H2,1-3H3,(H,20,21).
What are the key properties of 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine?
1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 5.20, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-undecyl-1H-imidazol-4-yl)propan-1-amine is sourced from PubChem (CID 141279090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).