2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

C17H26N2O — CID 116661576

IUPAC2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCNC(CC1=CCCCC1)c1cncc(OC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-13(2)20-16-10-15(11-19-12-16)17(18-3)9-14-7-5-4-6-8-14/h7,10-13,17-18H,4-6,8-9H2,1-3H3
InChIKeyVNPUJFUBBLNWGO-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.02
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine

2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (PubChem CID 116661576) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
PubChem CID116661576
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
SMILESCNC(CC1=CCCCC1)c1cncc(OC(C)C)c1
InChIInChI=1S/C17H26N2O/c1-13(2)20-16-10-15(11-19-12-16)17(18-3)9-14-7-5-4-6-8-14/h7,10-13,17-18H,4-6,8-9H2,1-3H3
InChIKeyVNPUJFUBBLNWGO-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine with MolForge

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Related Compounds

[2-(cyclohexen-1-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105270168
2-(cyclohexen-1-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 116661791
2-(cyclohexen-1-yl)-1-(3-cyclopropyloxyphenyl)-N-methylethanamine
CID 114522221
2-(cyclohexen-1-yl)-N-methyl-1-naphthalen-2-ylethanamine
CID 116661619
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
2-(cyclohexen-1-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 116660264
2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 116661287
2-(cyclohexen-1-yl)-1-(3-fluorophenyl)-N-methylethanamine
CID 116661610
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
1-(4-chloro-3-methoxyphenyl)-2-(cyclohexen-1-yl)-N-methylethanamine
CID 116661458
[2-(4-fluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethyl]hydrazine
CID 105198391
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylethanamine
CID 116661434

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine (CID 116661576) is 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine is CNC(CC1=CCCCC1)c1cncc(OC(C)C)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
The InChIKey is VNPUJFUBBLNWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)20-16-10-15(11-19-12-16)17(18-3)9-14-7-5-4-6-8-14/h7,10-13,17-18H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine?
2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 116661576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).