(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine

C14H23NO — CID 89070079

IUPAC(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine
SMILESC=CCNC/C=C/C(=C\C)C1CCOCC1
InChIInChI=1S/C14H23NO/c1-3-9-15-10-5-6-13(4-2)14-7-11-16-12-8-14/h3-6,14-15H,1,7-12H2,2H3/b6-5+,13-4+
InChIKeyCMDLNYMUYODLIB-SHDCQJMRSA-N
MW221.34 g/mol
LogP2.69
Rot. Bonds6

About (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine

(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine (PubChem CID 89070079) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine
PubChem CID89070079
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine
SMILESC=CCNC/C=C/C(=C\C)C1CCOCC1
InChIInChI=1S/C14H23NO/c1-3-9-15-10-5-6-13(4-2)14-7-11-16-12-8-14/h3-6,14-15H,1,7-12H2,2H3/b6-5+,13-4+
InChIKeyCMDLNYMUYODLIB-SHDCQJMRSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.69
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine (CID 89070079) is (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine is C=CCNC/C=C/C(=C\C)C1CCOCC1.
What is the InChIKey of (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine?
The InChIKey is CMDLNYMUYODLIB-SHDCQJMRSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-9-15-10-5-6-13(4-2)14-7-11-16-12-8-14/h3-6,14-15H,1,7-12H2,2H3/b6-5+,13-4+.
What are the key properties of (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine?
(2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(oxan-4-yl)-N-prop-2-enylhexa-2,4-dien-1-amine is sourced from PubChem (CID 89070079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).