N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine

C11H19NO — CID 166774370

IUPACN-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
SMILESC=C/C=C(\CC)NC1CCCCO1
InChIInChI=1S/C11H19NO/c1-3-7-10(4-2)12-11-8-5-6-9-13-11/h3,7,11-12H,1,4-6,8-9H2,2H3/b10-7+
InChIKeyVTGCCWNRLOVTQA-JXMROGBWSA-N
MW181.28 g/mol
LogP2.58
Rot. Bonds4

About N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine

N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine (PubChem CID 166774370) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
PubChem CID166774370
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine
SMILESC=C/C=C(\CC)NC1CCCCO1
InChIInChI=1S/C11H19NO/c1-3-7-10(4-2)12-11-8-5-6-9-13-11/h3,7,11-12H,1,4-6,8-9H2,2H3/b10-7+
InChIKeyVTGCCWNRLOVTQA-JXMROGBWSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
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-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine?
The IUPAC name of N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine (CID 166774370) is N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine.
What is the SMILES notation for N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine?
The canonical SMILES for N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine is C=C/C=C(\CC)NC1CCCCO1.
What is the InChIKey of N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine?
The InChIKey is VTGCCWNRLOVTQA-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-7-10(4-2)12-11-8-5-6-9-13-11/h3,7,11-12H,1,4-6,8-9H2,2H3/b10-7+.
What are the key properties of N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine?
N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dien-3-yl]oxan-2-amine is sourced from PubChem (CID 166774370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).