3-butyl-2-dodecylimidazolidin-1-amine

C19H41N3 — CID 19994298

IUPAC3-butyl-2-dodecylimidazolidin-1-amine
SMILESCCCCCCCCCCCCC1N(N)CCN1CCCC
InChIInChI=1S/C19H41N3/c1-3-5-7-8-9-10-11-12-13-14-15-19-21(16-6-4-2)17-18-22(19)20/h19H,3-18,20H2,1-2H3
InChIKeyLXBCGSAOEZVQRL-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.91
Rot. Bonds14

About 3-butyl-2-dodecylimidazolidin-1-amine

3-butyl-2-dodecylimidazolidin-1-amine (PubChem CID 19994298) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is 3-butyl-2-dodecylimidazolidin-1-amine.

Molecular Properties

Compound Name3-butyl-2-dodecylimidazolidin-1-amine
PubChem CID19994298
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Name3-butyl-2-dodecylimidazolidin-1-amine
SMILESCCCCCCCCCCCCC1N(N)CCN1CCCC
InChIInChI=1S/C19H41N3/c1-3-5-7-8-9-10-11-12-13-14-15-19-21(16-6-4-2)17-18-22(19)20/h19H,3-18,20H2,1-2H3
InChIKeyLXBCGSAOEZVQRL-UHFFFAOYSA-N
XLogP4.91
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-heptadecyl-1-octadecyl-3-propylimidazolidine
CID 20661967
1-butyl-3-hydroxy-2-octadecylimidazolidine
CID 19994284
2-heptadecyl-1-methyl-3-propylimidazolidine
CID 175060590
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
1,3-dimethyl-2-nonylimidazolidine;hydroiodide
CID 173458444
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-[2-heptadec-8-enyl-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol
CID 3023627
2-[2-[(E)-heptadec-8-enyl]-3-(2-hydroxyethyl)imidazolidin-1-yl]ethanol;hydrochloride
CID 172998925
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
1-butyl-2-hexyl-1,3-diazinane
CID 163782424
1,3-dibutyl-2-chloroimidazolidine
CID 18347940
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-dodecylimidazolidin-1-amine?
The IUPAC name of 3-butyl-2-dodecylimidazolidin-1-amine (CID 19994298) is 3-butyl-2-dodecylimidazolidin-1-amine.
What is the SMILES notation for 3-butyl-2-dodecylimidazolidin-1-amine?
The canonical SMILES for 3-butyl-2-dodecylimidazolidin-1-amine is CCCCCCCCCCCCC1N(N)CCN1CCCC.
What is the InChIKey of 3-butyl-2-dodecylimidazolidin-1-amine?
The InChIKey is LXBCGSAOEZVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3/c1-3-5-7-8-9-10-11-12-13-14-15-19-21(16-6-4-2)17-18-22(19)20/h19H,3-18,20H2,1-2H3.
What are the key properties of 3-butyl-2-dodecylimidazolidin-1-amine?
3-butyl-2-dodecylimidazolidin-1-amine has a molecular weight of 311.56 g/mol, XLogP of 4.91, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-dodecylimidazolidin-1-amine is sourced from PubChem (CID 19994298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).