1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine

C18H31N — CID 116662210

IUPAC1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
SMILESCNCC1(C2=CCCCC2)CC2(CCCCCC2)C1
InChIInChI=1S/C18H31N/c1-19-15-18(16-9-5-4-6-10-16)13-17(14-18)11-7-2-3-8-12-17/h9,19H,2-8,10-15H2,1H3
InChIKeyFHDWTDWHBVIZMT-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.83
Rot. Bonds3

About 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine

1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine (PubChem CID 116662210) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
PubChem CID116662210
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
SMILESCNCC1(C2=CCCCC2)CC2(CCCCCC2)C1
InChIInChI=1S/C18H31N/c1-19-15-18(16-9-5-4-6-10-16)13-17(14-18)11-7-2-3-8-12-17/h9,19H,2-8,10-15H2,1H3
InChIKeyFHDWTDWHBVIZMT-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
CID 116662298
N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 116662294
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
1-[2-(4-chlorophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007343
1-[2-(4-bromophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007341
2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
CID 116659301
N-methyl-1-[2-(2-methylphenyl)spiro[3.5]nonan-2-yl]methanamine
CID 65007206
1-[2-(2-fluorophenyl)spiro[3.5]nonan-2-yl]-N-methylmethanamine
CID 65006915
1-[1-(cyclohexen-1-yl)-2-ethylcyclopropyl]-N-methylmethanamine
CID 116662200
1-[2-(2-bromophenyl)spiro[3.3]heptan-2-yl]-N-methylmethanamine
CID 65009563
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine (CID 116662210) is 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine is CNCC1(C2=CCCCC2)CC2(CCCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
The InChIKey is FHDWTDWHBVIZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-19-15-18(16-9-5-4-6-10-16)13-17(14-18)11-7-2-3-8-12-17/h9,19H,2-8,10-15H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine?
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine has a molecular weight of 261.45 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116662210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).