(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine

C17H31NO2 — CID 102902717

IUPAC(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H31NO2/c1-15(6-5-11-18-12-13-19-2)14-16-7-10-17(20-16)8-3-4-9-17/h6,16,18H,3-5,7-14H2,1-2H3/b15-6-
InChIKeyIUKVUHANSVCRQJ-UUASQNMZSA-N
MW281.44 g/mol
LogP3.44
Rot. Bonds8

About (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine

(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine (PubChem CID 102902717) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine
PubChem CID102902717
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine
SMILESCOCCNCC/C=C(/C)CC1CCC2(CCCC2)O1
InChIInChI=1S/C17H31NO2/c1-15(6-5-11-18-12-13-19-2)14-16-7-10-17(20-16)8-3-4-9-17/h6,16,18H,3-5,7-14H2,1-2H3/b15-6-
InChIKeyIUKVUHANSVCRQJ-UUASQNMZSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine (CID 102902717) is (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine is COCCNCC/C=C(/C)CC1CCC2(CCCC2)O1.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine?
The InChIKey is IUKVUHANSVCRQJ-UUASQNMZSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(6-5-11-18-12-13-19-2)14-16-7-10-17(20-16)8-3-4-9-17/h6,16,18H,3-5,7-14H2,1-2H3/b15-6-.
What are the key properties of (Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine?
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pent-3-en-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.44, 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[4.4]nonan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 102902717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).