N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine

C18H31NO — CID 116662294

IUPACN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2=CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C18H31NO/c1-15(2)19-14-18(16-6-4-3-5-7-16)12-17(13-18)8-10-20-11-9-17/h6,15,19H,3-5,7-14H2,1-2H3
InChIKeyZQMCOIHUDITOLK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.06
Rot. Bonds4

About N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine

N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine (PubChem CID 116662294) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine
PubChem CID116662294
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2=CCCCC2)CC2(CCOCC2)C1
InChIInChI=1S/C18H31NO/c1-15(2)19-14-18(16-6-4-3-5-7-16)12-17(13-18)8-10-20-11-9-17/h6,15,19H,3-5,7-14H2,1-2H3
InChIKeyZQMCOIHUDITOLK-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784
N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 80525541
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine (CID 116662294) is N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine is CC(C)NCC1(C2=CCCCC2)CC2(CCOCC2)C1.
What is the InChIKey of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine?
The InChIKey is ZQMCOIHUDITOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)19-14-18(16-6-4-3-5-7-16)12-17(13-18)8-10-20-11-9-17/h6,15,19H,3-5,7-14H2,1-2H3.
What are the key properties of N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine?
N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).