N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine

C10H18ClN3 — CID 43088251

IUPACN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3/c1-7(2)8(3)12-6-10-13-5-9(11)14(10)4/h5,7-8,12H,6H2,1-4H3
InChIKeyBWOGRHWGMQBRAK-UHFFFAOYSA-N
MW215.73 g/mol
LogP2.21
Rot. Bonds4

About N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine (PubChem CID 43088251) has the molecular formula C10H18ClN3 and a molecular weight of 215.73 g/mol. Its IUPAC name is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
PubChem CID43088251
Molecular FormulaC10H18ClN3
Molecular Weight215.73 g/mol
Exact Mass215.12
IUPAC NameN-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCc1ncc(Cl)n1C
InChIInChI=1S/C10H18ClN3/c1-7(2)8(3)12-6-10-13-5-9(11)14(10)4/h5,7-8,12H,6H2,1-4H3
InChIKeyBWOGRHWGMQBRAK-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-amine
CID 4310329
Imidazole, 5-chloro-1-isobutyl-2-isopropyl-
CID 203221
1-(2-ethyl-1H-imidazol-1-yl)propan-2-amine
CID 61402238
1-(1-methyl-1H-imidazol-2-yl)ethan-1-amine dihydrochloride
CID 86677954
1-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methylpiperazine
CID 54592590
3-(2-Isopropyl-imidazol-1-yl)-propylamine
CID 6484135
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine
CID 16641494
2-methyl-3-(2-methyl-1H-imidazol-1-yl)propan-1-amine dihydrochloride
CID 45791661
N-Methyl-3-(1-Methyl-1H-Imidazol-2-Yl)Propan-1-Amine Dihydrochloride
CID 47000755
methyl(((1-(propan-2-yl)-1H-imidazol-2-yl)methyl))amine
CID 55266162
3-methyl-1-(1-methyl-1H-imidazol-2-yl)butan-2-amine
CID 60758012
N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclobutanamine
CID 62415731

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine (CID 43088251) is N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine is CC(C)C(C)NCc1ncc(Cl)n1C.
What is the InChIKey of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is BWOGRHWGMQBRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3/c1-7(2)8(3)12-6-10-13-5-9(11)14(10)4/h5,7-8,12H,6H2,1-4H3.
What are the key properties of N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine?
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 215.73 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43088251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).