(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine

C18H33NO — CID 79908519

IUPAC(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H33NO/c1-3-12-19-13-7-8-16(2)17-9-14-20-18(15-17)10-5-4-6-11-18/h8,17,19H,3-7,9-15H2,1-2H3/b16-8-
InChIKeyNSPZEHISOFKSPJ-PXNMLYILSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds6

About (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine

(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine (PubChem CID 79908519) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine
PubChem CID79908519
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H33NO/c1-3-12-19-13-7-8-16(2)17-9-14-20-18(15-17)10-5-4-6-11-18/h8,17,19H,3-7,9-15H2,1-2H3/b16-8-
InChIKeyNSPZEHISOFKSPJ-PXNMLYILSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine (CID 79908519) is (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine?
The InChIKey is NSPZEHISOFKSPJ-PXNMLYILSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-12-19-13-7-8-16(2)17-9-14-20-18(15-17)10-5-4-6-11-18/h8,17,19H,3-7,9-15H2,1-2H3/b16-8-.
What are the key properties of (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine?
(Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79908519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).