1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine

C15H31N3 — CID 57179033

IUPAC1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C15H31N3/c1-3-4-5-6-7-8-9-10-11-15-17-12-13-18(15)14(2)16/h14H,3-13,16H2,1-2H3
InChIKeyMRHLDTPBJUWHNP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.54
Rot. Bonds10

About 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine

1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine (PubChem CID 57179033) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
PubChem CID57179033
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
SMILESCCCCCCCCCCC1=NCCN1C(C)N
InChIInChI=1S/C15H31N3/c1-3-4-5-6-7-8-9-10-11-15-17-12-13-18(15)14(2)16/h14H,3-13,16H2,1-2H3
InChIKeyMRHLDTPBJUWHNP-UHFFFAOYSA-N
XLogP3.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.54
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-[2-[(E)-heptadec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323480
1-[2-[(E)-pentadec-6-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323302
1-[2-[(E)-dodec-7-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323033
1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
CID 160698927
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
CID 19844003
1-[2-[(E)-octadec-3-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323561
1-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanol;dihydrofluoride
CID 57453852
1-[2-[(E)-tetradec-11-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323229
1-(2-pentadec-14-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 101323310
1-[2-[(E)-undec-2-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322968
1-(2-decyl-4,5-dihydroimidazol-1-yl)propan-1-ol
CID 70256872
2-hexadecyl-1-(1-octadecoxyethyl)-4,5-dihydroimidazole
CID 67786332

Frequently Asked Questions

What is the IUPAC name of 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine?
The IUPAC name of 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine (CID 57179033) is 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine.
What is the SMILES notation for 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine?
The canonical SMILES for 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine is CCCCCCCCCCC1=NCCN1C(C)N.
What is the InChIKey of 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine?
The InChIKey is MRHLDTPBJUWHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-4-5-6-7-8-9-10-11-15-17-12-13-18(15)14(2)16/h14H,3-13,16H2,1-2H3.
What are the key properties of 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine?
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine is sourced from PubChem (CID 57179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).