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

C16H29N3O — CID 116779851

IUPACN-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2ncc(CNC(C)(C)C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-12-7-6-8-16(9-12,20-5)14-17-10-13(19-14)11-18-15(2,3)4/h10,12,18H,6-9,11H2,1-5H3,(H,17,19)
InChIKeyBTWOKKJFGKPWNV-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.35
Rot. Bonds4

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

N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116779851) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116779851
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOC1(c2ncc(CNC(C)(C)C)[nH]2)CCCC(C)C1
InChIInChI=1S/C16H29N3O/c1-12-7-6-8-16(9-12,20-5)14-17-10-13(19-14)11-18-15(2,3)4/h10,12,18H,6-9,11H2,1-5H3,(H,17,19)
InChIKeyBTWOKKJFGKPWNV-UHFFFAOYSA-N
XLogP3.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113432918
N-[[2-(1-ethoxy-4-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116779838
N-[[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 116779805
1-[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 104611931
5-bromo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidine-6-thione
CID 106480989
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 104611933
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 116779851) is N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is COC1(c2ncc(CNC(C)(C)C)[nH]2)CCCC(C)C1.
What is the InChIKey of N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BTWOKKJFGKPWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12-7-6-8-16(9-12,20-5)14-17-10-13(19-14)11-18-15(2,3)4/h10,12,18H,6-9,11H2,1-5H3,(H,17,19).
What are the key properties of N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116779851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).