N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine

C13H22ClN3 — CID 65028463

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC1(CCl)CCC(C)CC1
InChIInChI=1S/C13H22ClN3/c1-3-17-9-8-15-12(17)16-13(10-14)6-4-11(2)5-7-13/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyRFIXUBITPMDPMD-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine

N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine (PubChem CID 65028463) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine
PubChem CID65028463
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine
SMILESCCn1ccnc1NC1(CCl)CCC(C)CC1
InChIInChI=1S/C13H22ClN3/c1-3-17-9-8-15-12(17)16-13(10-14)6-4-11(2)5-7-13/h8-9,11H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyRFIXUBITPMDPMD-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(chloromethyl)cyclohexyl]amino]-1-ethylpyrazin-2-one
CID 65028801
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpyrimidin-4-amine
CID 65028103
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-methyltetrazol-5-amine
CID 65028310
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
1-[[1-(chloromethyl)-4-methylcyclohexyl]amino]isoquinolin-7-ol
CID 106542756
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypyridin-2-amine
CID 113371331
N-(1-ethylimidazol-2-yl)-2,6-dimethylpiperidin-1-amine
CID 83026249
1-[(1-ethylimidazol-2-yl)amino]cycloheptane-1-carboxylic acid
CID 62137475
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
N-(2-chlorocyclohexyl)-1-ethylimidazol-2-amine
CID 65029087
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine (CID 65028463) is N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine is CCn1ccnc1NC1(CCl)CCC(C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine?
The InChIKey is RFIXUBITPMDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-3-17-9-8-15-12(17)16-13(10-14)6-4-11(2)5-7-13/h8-9,11H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine?
N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-1-ethylimidazol-2-amine is sourced from PubChem (CID 65028463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).