(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine

C13H23NO — CID 142960679

IUPAC(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C/C)OC)CCNC(C)C
InChIInChI=1S/C13H23NO/c1-6-13(15-5)8-7-12(4)9-10-14-11(2)3/h6-8,11,14H,4,9-10H2,1-3,5H3/b8-7-,13-6+
InChIKeyAQFXAPZYDOLNKE-ZUKYEBQOSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds7

About (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine

(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine (PubChem CID 142960679) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine
PubChem CID142960679
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C/C)OC)CCNC(C)C
InChIInChI=1S/C13H23NO/c1-6-13(15-5)8-7-12(4)9-10-14-11(2)3/h6-8,11,14H,4,9-10H2,1-3,5H3/b8-7-,13-6+
InChIKeyAQFXAPZYDOLNKE-ZUKYEBQOSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[(4E,6Z)-5-[fluoro(iodo)methoxy]octa-4,6-dienyl]-2-N-methylpropane-1,2-diamine
CID 163535513
N-[(1R)-1-(4-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-2-methylpropan-1-amine
CID 169112958
(2R,5E,7E)-7-fluoro-6-methoxy-N,9-dimethyldeca-5,7-dien-2-amine
CID 174194590
N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
N-[(4,5-dimethoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926734
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
(2R,3E,5E)-3-ethenyl-5-methoxy-N-(2-propoxybutyl)hepta-3,5-dien-2-amine
CID 88931434
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
N-(cyclopropylmethyl)-1-[(1R)-4-methoxycyclohexa-2,4-dien-1-yl]prop-2-en-1-amine
CID 89290284
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine (CID 142960679) is (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine is C=C(/C=C\C(=C/C)OC)CCNC(C)C.
What is the InChIKey of (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine?
The InChIKey is AQFXAPZYDOLNKE-ZUKYEBQOSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-13(15-5)8-7-12(4)9-10-14-11(2)3/h6-8,11,14H,4,9-10H2,1-3,5H3/b8-7-,13-6+.
What are the key properties of (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine?
(4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-6-methoxy-3-methylidene-N-propan-2-ylocta-4,6-dien-1-amine is sourced from PubChem (CID 142960679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).