(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine

C16H29N3O — CID 116768061

IUPAC(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-4-10-19-11-9-18-15(19)14(17)16(20-5-2)8-6-7-13(3)12-16/h9,11,13-14H,4-8,10,12,17H2,1-3H3
InChIKeyDRFMRJYVGGQKKE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.28
Rot. Bonds6

About (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 116768061) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
PubChem CID116768061
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1(OCC)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-4-10-19-11-9-18-15(19)14(17)16(20-5-2)8-6-7-13(3)12-16/h9,11,13-14H,4-8,10,12,17H2,1-3H3
InChIKeyDRFMRJYVGGQKKE-UHFFFAOYSA-N
XLogP3.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
(1-methoxy-4,4-dimethylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116769075
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
CID 116768146
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
3-methyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744716
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
[1-(1-ethoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027135

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine (CID 116768061) is (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)C1(OCC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is DRFMRJYVGGQKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-10-19-11-9-18-15(19)14(17)16(20-5-2)8-6-7-13(3)12-16/h9,11,13-14H,4-8,10,12,17H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 116768061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).