N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C16H29N3O — CID 116779805

IUPACN-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-5-20-16(8-6-7-13(4)9-16)15-18-11-14(19-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyCNOBZHLZVBOJLM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.35
Rot. Bonds6

About N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 116779805) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID116779805
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCCOC1(c2ncc(CNC(C)C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-5-20-16(8-6-7-13(4)9-16)15-18-11-14(19-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyCNOBZHLZVBOJLM-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774371
N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779851
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 104611933
N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779838
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 116779223
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
N-[1-[2-(1-ethoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 116774617
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 116779805) is N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CCOC1(c2ncc(CNC(C)C)[nH]2)CCCC(C)C1.
What is the InChIKey of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is CNOBZHLZVBOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-20-16(8-6-7-13(4)9-16)15-18-11-14(19-15)10-17-12(2)3/h11-13,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116779805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).