(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine

C14H25NO — CID 143394697

IUPAC(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine
SMILESC=C(/C=C(/CNC(C)C)C(=C)C)CCOC
InChIInChI=1S/C14H25NO/c1-11(2)14(10-15-12(3)4)9-13(5)7-8-16-6/h9,12,15H,1,5,7-8,10H2,2-4,6H3/b14-9-
InChIKeyJWTVIPYRPPBVJF-ZROIWOOFSA-N
MW223.36 g/mol
LogP3.08
Rot. Bonds8

About (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine

(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine (PubChem CID 143394697) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine
PubChem CID143394697
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine
SMILESC=C(/C=C(/CNC(C)C)C(=C)C)CCOC
InChIInChI=1S/C14H25NO/c1-11(2)14(10-15-12(3)4)9-13(5)7-8-16-6/h9,12,15H,1,5,7-8,10H2,2-4,6H3/b14-9-
InChIKeyJWTVIPYRPPBVJF-ZROIWOOFSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
(Z)-N-(3-methoxypropyl)-2-methylidenehex-3-en-1-amine
CID 132175166
N-[2-(4-methoxycyclohepta-1,4,6-trien-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 142256484
(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane
CID 143062810
ethane;3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
CID 145012043
(2S,3E)-3-ethenyl-1-methoxy-N-prop-1-en-2-ylhexa-3,5-dien-2-amine
CID 145041866
ethane;(3Z)-N-(4-methoxybutan-2-yl)-5-methylhexa-1,3,5-trien-2-amine
CID 153333971
(3S)-3-[(2E,4Z)-hexa-2,4-dien-3-yl]morpholine
CID 155244304
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
CID 166850487
N-(2-cyclohexa-1,5-dien-1-ylethyl)-3-methoxypropan-1-amine
CID 173159408
3-[(Z)-but-1-enyl]-4-ethyl-2-(methoxymethyl)-2,5-dihydro-1H-pyrrole
CID 174282605
4,5-Bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 177021911

Frequently Asked Questions

What is the IUPAC name of (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine?
The IUPAC name of (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine (CID 143394697) is (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine.
What is the SMILES notation for (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine?
The canonical SMILES for (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine is C=C(/C=C(/CNC(C)C)C(=C)C)CCOC.
What is the InChIKey of (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine?
The InChIKey is JWTVIPYRPPBVJF-ZROIWOOFSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)14(10-15-12(3)4)9-13(5)7-8-16-6/h9,12,15H,1,5,7-8,10H2,2-4,6H3/b14-9-.
What are the key properties of (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine?
(E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methoxy-4-methylidene-N-propan-2-yl-2-prop-1-en-2-ylhex-2-en-1-amine is sourced from PubChem (CID 143394697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).