N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

C17H31N3O — CID 116767387

IUPACN-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-11-18-15(16-19-12-13-20(16)4)17(21-6-2)9-7-14(3)8-10-17/h12-15,18H,5-11H2,1-4H3
InChIKeyWODVEPNSOPDEQU-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.45
Rot. Bonds7

About N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 116767387) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID116767387
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C17H31N3O/c1-5-11-18-15(16-19-12-13-20(16)4)17(21-6-2)9-7-14(3)8-10-17/h12-15,18H,5-11H2,1-4H3
InChIKeyWODVEPNSOPDEQU-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethoxycycloheptyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 116770958
N-[(1-ethoxy-4-methylcyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116767400
[(1-ethoxycyclohexyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105276310
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116767394
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 116765859
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 116767193
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 116767387) is N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)C1(OCC)CCC(C)CC1.
What is the InChIKey of N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is WODVEPNSOPDEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-11-18-15(16-19-12-13-20(16)4)17(21-6-2)9-7-14(3)8-10-17/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4-methylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 116767387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).