N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine

C14H27NO — CID 130331342

IUPACN-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
SMILESCC/C=C\CN(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-4-5-6-9-15(12-13(2)3)14-7-10-16-11-8-14/h5-6,13-14H,4,7-12H2,1-3H3/b6-5-
InChIKeyOQKHIPGMBHDUNR-WAYWQWQTSA-N
MW225.38 g/mol
LogP3.09
Rot. Bonds6

About N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine

N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine (PubChem CID 130331342) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
PubChem CID130331342
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
SMILESCC/C=C\CN(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-4-5-6-9-15(12-13(2)3)14-7-10-16-11-8-14/h5-6,13-14H,4,7-12H2,1-3H3/b6-5-
InChIKeyOQKHIPGMBHDUNR-WAYWQWQTSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine (CID 130331342) is N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine is CC/C=C\CN(CC(C)C)C1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine?
The InChIKey is OQKHIPGMBHDUNR-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-6-9-15(12-13(2)3)14-7-10-16-11-8-14/h5-6,13-14H,4,7-12H2,1-3H3/b6-5-.
What are the key properties of N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine?
N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine is sourced from PubChem (CID 130331342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).