N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine

C14H25NO — CID 142383697

IUPACN-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine
SMILESC=C/C=C(\C)N(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5-6,12,14H,1,7-11H2,2-4H3/b13-6+
InChIKeyKMQLBYSOIGSTER-AWNIVKPZSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds5

About N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine

N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine (PubChem CID 142383697) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine
PubChem CID142383697
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine
SMILESC=C/C=C(\C)N(CC(C)C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5-6,12,14H,1,7-11H2,2-4H3/b13-6+
InChIKeyKMQLBYSOIGSTER-AWNIVKPZSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine (CID 142383697) is N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine is C=C/C=C(\C)N(CC(C)C)C1CCOCC1.
What is the InChIKey of N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine?
The InChIKey is KMQLBYSOIGSTER-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-13(4)15(11-12(2)3)14-7-9-16-10-8-14/h5-6,12,14H,1,7-11H2,2-4H3/b13-6+.
What are the key properties of N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine?
N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine is sourced from PubChem (CID 142383697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).