N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine

C18H31NO — CID 65169707

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C12CCCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-13-16(18(17)11-7-4-8-12-18)19-14-15-9-5-3-6-10-15/h3,5,15-17,19H,2,4,6-14H2,1H3
InChIKeyCUJVDGUZLGVILG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.06
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65169707) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65169707
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NCC2CC=CCC2)C12CCCCC2
InChIInChI=1S/C18H31NO/c1-2-20-17-13-16(18(17)11-7-4-8-12-18)19-14-15-9-5-3-6-10-15/h3,5,15-17,19H,2,4,6-14H2,1H3
InChIKeyCUJVDGUZLGVILG-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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CID 90694386
(Z)-11-(2-cyclohexylethoxy)-N,2-dimethyldodec-6-en-4-amine;methane
CID 144660127
N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43225559
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
N-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 64097553
N-(cyclohex-3-en-1-ylmethyl)-2-propyloxan-4-amine
CID 64102069
N-(cyclohex-3-en-1-ylmethyl)-2-ethyloxan-4-amine
CID 64102270
N-(cyclohex-3-en-1-ylmethyl)-2-methyloxan-4-amine
CID 64102271
N-(cyclohex-3-en-1-ylmethyl)-2-propan-2-yloxan-4-amine
CID 64102472
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850380
N-[2-(cyclohexen-1-yl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64850524

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65169707) is N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NCC2CC=CCC2)C12CCCCC2.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is CUJVDGUZLGVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-2-20-17-13-16(18(17)11-7-4-8-12-18)19-14-15-9-5-3-6-10-15/h3,5,15-17,19H,2,4,6-14H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).