(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine

C18H33NO — CID 79910367

IUPAC(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO/c1-15(2)14-19-11-6-7-16(3)17-8-12-20-18(13-17)9-4-5-10-18/h7,15,17,19H,4-6,8-14H2,1-3H3/b16-7-
InChIKeyQCCFCRCYBSYTHD-APSNUPSMSA-N
MW279.47 g/mol
LogP4.31
Rot. Bonds6

About (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine

(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine (PubChem CID 79910367) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine
PubChem CID79910367
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO/c1-15(2)14-19-11-6-7-16(3)17-8-12-20-18(13-17)9-4-5-10-18/h7,15,17,19H,4-6,8-14H2,1-3H3/b16-7-
InChIKeyQCCFCRCYBSYTHD-APSNUPSMSA-N
XLogP4.31
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 ≤ 54.31
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)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine (CID 79910367) is (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)C1CCOC2(CCCC2)C1.
What is the InChIKey of (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine?
The InChIKey is QCCFCRCYBSYTHD-APSNUPSMSA-N. The full InChI is InChI=1S/C18H33NO/c1-15(2)14-19-11-6-7-16(3)17-8-12-20-18(13-17)9-4-5-10-18/h7,15,17,19H,4-6,8-14H2,1-3H3/b16-7-.
What are the key properties of (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine?
(Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methylpropyl)-4-(6-oxaspiro[4.5]decan-9-yl)pent-3-en-1-amine is sourced from PubChem (CID 79910367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).