(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine

C19H35NO — CID 79909036

IUPAC(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H35NO/c1-16(2)15-20-12-7-8-17(3)18-9-13-21-19(14-18)10-5-4-6-11-19/h8,16,18,20H,4-7,9-15H2,1-3H3/b17-8-
InChIKeyZKLWHEAYNTXDNA-IUXPMGMMSA-N
MW293.49 g/mol
LogP4.70
Rot. Bonds6

About (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine

(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine (PubChem CID 79909036) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine
PubChem CID79909036
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine
SMILESC/C(=C/CCNCC(C)C)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H35NO/c1-16(2)15-20-12-7-8-17(3)18-9-13-21-19(14-18)10-5-4-6-11-19/h8,16,18,20H,4-7,9-15H2,1-3H3/b17-8-
InChIKeyZKLWHEAYNTXDNA-IUXPMGMMSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.49
LogP ≤ 54.70
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-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine (CID 79909036) is (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine is C/C(=C/CCNCC(C)C)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine?
The InChIKey is ZKLWHEAYNTXDNA-IUXPMGMMSA-N. The full InChI is InChI=1S/C19H35NO/c1-16(2)15-20-12-7-8-17(3)18-9-13-21-19(14-18)10-5-4-6-11-19/h8,16,18,20H,4-7,9-15H2,1-3H3/b17-8-.
What are the key properties of (Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine?
(Z)-N-(2-methylpropyl)-4-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine has a molecular weight of 293.49 g/mol, XLogP of 4.70, 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-(1-oxaspiro[5.5]undecan-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 79909036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).