2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol

C16H35N3O — CID 3022868

IUPAC2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol
SMILESCCCCCCC(C)(C)C1N(CCN)CCN1CCO
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-16(2,3)15-18(10-9-17)11-12-19(15)13-14-20/h15,20H,4-14,17H2,1-3H3
InChIKeyMUJWHJCOOXYTDJ-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.88
Rot. Bonds10

About 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol

2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol (PubChem CID 3022868) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol
PubChem CID3022868
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol
SMILESCCCCCCC(C)(C)C1N(CCN)CCN1CCO
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-16(2,3)15-18(10-9-17)11-12-19(15)13-14-20/h15,20H,4-14,17H2,1-3H3
InChIKeyMUJWHJCOOXYTDJ-UHFFFAOYSA-N
XLogP1.88
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methyl-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanamine
CID 57356330
2-[3-methyl-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol
CID 57356443
2-(3-ethyl-2-heptadecylimidazolidin-1-yl)ethanol
CID 57356059
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
4,4-dimethyltridecan-1-amine
CID 172686024
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
hexadecan-1-amine;propan-1-ol
CID 174670942
2-[3-ethyl-2-[(E)-heptadec-8-enyl]imidazolidin-1-yl]ethanol
CID 6437254
2-[3-(2-hydroxyethyl)-2-tridecylimidazolidin-1-yl]ethyl tetradecanoate
CID 122673108
7,7-dimethyldocosan-1-ol
CID 150860437

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol?
The IUPAC name of 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol (CID 3022868) is 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol is CCCCCCC(C)(C)C1N(CCN)CCN1CCO.
What is the InChIKey of 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol?
The InChIKey is MUJWHJCOOXYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-5-6-7-8-16(2,3)15-18(10-9-17)11-12-19(15)13-14-20/h15,20H,4-14,17H2,1-3H3.
What are the key properties of 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol?
2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol has a molecular weight of 285.48 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)-2-(2-methyloctan-2-yl)imidazolidin-1-yl]ethanol is sourced from PubChem (CID 3022868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).