N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine

C10H18ClN3 — CID 63392355

IUPACN-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine
SMILESCCn1ccnc1N(CCCl)C(C)C
InChIInChI=1S/C10H18ClN3/c1-4-13-8-6-12-10(13)14(7-5-11)9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQXILEJPAHSMUCZ-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.36
Rot. Bonds5

About N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine

N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine (PubChem CID 63392355) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine
PubChem CID63392355
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC NameN-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine
SMILESCCn1ccnc1N(CCCl)C(C)C
InChIInChI=1S/C10H18ClN3/c1-4-13-8-6-12-10(13)14(7-5-11)9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyQXILEJPAHSMUCZ-UHFFFAOYSA-N
XLogP2.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
CID 104555424
N-(3-chloropropyl)-1-methyl-N-propan-2-ylimidazol-2-amine
CID 63388587
1-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 79719989
3-[2-chloroethyl(propan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55184433
3-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanethioamide
CID 62138954
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
alumane;1-ethyl-2-methylimidazole;dihydrochloride
CID 173131459
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
3-[(4-ethyl-3-oxopyrazin-2-yl)-propan-2-ylamino]propanimidamide
CID 62938598

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine (CID 63392355) is N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine is CCn1ccnc1N(CCCl)C(C)C.
What is the InChIKey of N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is QXILEJPAHSMUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-4-13-8-6-12-10(13)14(7-5-11)9(2)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine?
N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 215.73 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 63392355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).