N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine

C9H16ClN3 — CID 104555424

IUPACN-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
SMILESCCn1ccnc1N(C)C(C)CCl
InChIInChI=1S/C9H16ClN3/c1-4-13-6-5-11-9(13)12(3)8(2)7-10/h5-6,8H,4,7H2,1-3H3
InChIKeyXYKINUGPIWGWLB-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.97
Rot. Bonds4

About N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine

N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine (PubChem CID 104555424) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
PubChem CID104555424
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC NameN-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine
SMILESCCn1ccnc1N(C)C(C)CCl
InChIInChI=1S/C9H16ClN3/c1-4-13-6-5-11-9(13)12(3)8(2)7-10/h5-6,8H,4,7H2,1-3H3
InChIKeyXYKINUGPIWGWLB-UHFFFAOYSA-N
XLogP1.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.97
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-(2-chloroethyl)-1-ethyl-N-propan-2-ylimidazol-2-amine
CID 63392355
3-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanethioamide
CID 62138954
N'-(1-ethylimidazol-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652850
N'-(1-ethylimidazol-2-yl)-N'-methylpentane-1,5-diamine
CID 107206923
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
2-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanoic acid
CID 62818569
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
3-chloro-N-(1-chloropropan-2-yl)-N,2-dimethylpyridin-4-amine
CID 130588443
1-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 79719989
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine?
The IUPAC name of N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine (CID 104555424) is N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine.
What is the SMILES notation for N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine?
The canonical SMILES for N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine is CCn1ccnc1N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine?
The InChIKey is XYKINUGPIWGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-4-13-6-5-11-9(13)12(3)8(2)7-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine?
N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine has a molecular weight of 201.70 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-1-ethyl-N-methylimidazol-2-amine is sourced from PubChem (CID 104555424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).