6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine

C14H23NO — CID 177362181

IUPAC6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine
SMILESCCC/C=C/C(C)=C(/C)C1=C(C)OCCN1
InChIInChI=1S/C14H23NO/c1-5-6-7-8-11(2)12(3)14-13(4)16-10-9-15-14/h7-8,15H,5-6,9-10H2,1-4H3/b8-7+,12-11-
InChIKeySWCUDMZZSGUVOB-MDFXNHGISA-N
MW221.34 g/mol
LogP3.53
Rot. Bonds4

About 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine

6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine (PubChem CID 177362181) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine
PubChem CID177362181
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine
SMILESCCC/C=C/C(C)=C(/C)C1=C(C)OCCN1
InChIInChI=1S/C14H23NO/c1-5-6-7-8-11(2)12(3)14-13(4)16-10-9-15-14/h7-8,15H,5-6,9-10H2,1-4H3/b8-7+,12-11-
InChIKeySWCUDMZZSGUVOB-MDFXNHGISA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]-2-methoxybut-2-en-1-amine
CID 143135335
4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 57283088
2-Ethyl-3-methoxy-6-methyl-1,2-dihydropyridine
CID 58869507
N-(1,4-dioxin-2-ylmethyl)cyclohexa-1,3-dien-1-amine
CID 66727559
(E,2S)-5-(1-methyl-3-propan-2-yloxy-2H-pyridin-5-yl)pent-4-en-2-amine
CID 67414693
(E)-4-(3-ethoxy-1-methyl-2H-pyridin-5-yl)but-3-en-1-amine
CID 68755854
1-N-(2-ethoxyethyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 69905513
6-Ethenyl-3-ethoxy-2-methyl-1,2-dihydropyridine
CID 70281155
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
6-[(1Z)-buta-1,3-dienyl]-5-ethyl-3,4-dihydro-2H-1,4-oxazine
CID 87096481
(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905153

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine (CID 177362181) is 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine is CCC/C=C/C(C)=C(/C)C1=C(C)OCCN1.
What is the InChIKey of 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is SWCUDMZZSGUVOB-MDFXNHGISA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-7-8-11(2)12(3)14-13(4)16-10-9-15-14/h7-8,15H,5-6,9-10H2,1-4H3/b8-7+,12-11-.
What are the key properties of 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine?
6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 221.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2Z,4E)-3-methylocta-2,4-dien-2-yl]-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 177362181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).