(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine

C13H23NO — CID 138465845

IUPAC(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
SMILESC=C/C(OC)=C(\C)N(C)CC/C=C\CC
InChIInChI=1S/C13H23NO/c1-6-8-9-10-11-14(4)12(3)13(7-2)15-5/h7-9H,2,6,10-11H2,1,3-5H3/b9-8-,13-12-
InChIKeyKKMVMBKAKVOTPK-OZKAYXIQSA-N
MW209.33 g/mol
LogP3.34
Rot. Bonds7

About (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine

(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine (PubChem CID 138465845) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
PubChem CID138465845
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
SMILESC=C/C(OC)=C(\C)N(C)CC/C=C\CC
InChIInChI=1S/C13H23NO/c1-6-8-9-10-11-14(4)12(3)13(7-2)15-5/h7-9H,2,6,10-11H2,1,3-5H3/b9-8-,13-12-
InChIKeyKKMVMBKAKVOTPK-OZKAYXIQSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215
(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
CID 135234078
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
(3Z)-4-methoxy-N-methyl-2-methylidene-N-propylhexa-3,5-dien-1-amine
CID 139539796
3-methoxy-N,N,4-trimethylcyclohepta-1,3,5-trien-1-amine
CID 141975984
[4-(Diethylamino)-2-methylcyclohepta-1,3,6-trien-1-yl] cyanate
CID 142101921
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
(3E,5E)-6-methoxy-N-propylocta-3,5,7-trien-3-amine
CID 143108233
(5Z)-4-[(1E)-2-methoxybuta-1,3-dienyl]-1,3-dimethyl-5-pentylidene-2H-pyrrole
CID 143989148

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine?
The IUPAC name of (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine (CID 138465845) is (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine.
What is the SMILES notation for (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine?
The canonical SMILES for (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine is C=C/C(OC)=C(\C)N(C)CC/C=C\CC.
What is the InChIKey of (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine?
The InChIKey is KKMVMBKAKVOTPK-OZKAYXIQSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-8-9-10-11-14(4)12(3)13(7-2)15-5/h7-9H,2,6,10-11H2,1,3-5H3/b9-8-,13-12-.
What are the key properties of (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine?
(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine is sourced from PubChem (CID 138465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).