(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine

C18H33NO2 — CID 102902719

IUPAC(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H33NO2/c1-16(7-6-12-19-13-14-20-2)15-17-8-11-18(21-17)9-4-3-5-10-18/h7,17,19H,3-6,8-15H2,1-2H3/b16-7-
InChIKeyVQGDGWVUYZMHNP-APSNUPSMSA-N
MW295.47 g/mol
LogP3.83
Rot. Bonds8

About (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine

(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine (PubChem CID 102902719) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
PubChem CID102902719
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H33NO2/c1-16(7-6-12-19-13-14-20-2)15-17-8-11-18(21-17)9-4-3-5-10-18/h7,17,19H,3-6,8-15H2,1-2H3/b16-7-
InChIKeyVQGDGWVUYZMHNP-APSNUPSMSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
2-methoxy-N-[[3-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 102900401
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735
5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79606991
N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine
CID 104889628
2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 102899619
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 104772468
4-(2-methoxyethylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)butan-2-ol
CID 79908771
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine (CID 102902719) is (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine is COCCNCC/C=C(/C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine?
The InChIKey is VQGDGWVUYZMHNP-APSNUPSMSA-N. The full InChI is InChI=1S/C18H33NO2/c1-16(7-6-12-19-13-14-20-2)15-17-8-11-18(21-17)9-4-3-5-10-18/h7,17,19H,3-6,8-15H2,1-2H3/b16-7-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine?
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 102902719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).