(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine

C10H19NO — CID 142144487

IUPAC(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine
SMILESC/C=C(\C=C/CC)C(CN)OC
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(8-11)12-3/h5-7,10H,4,8,11H2,1-3H3/b7-6-,9-5+
InChIKeyHCCOULMFAUQOFB-QRLJIZSYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds5

About (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine

(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine (PubChem CID 142144487) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine
PubChem CID142144487
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine
SMILESC/C=C(\C=C/CC)C(CN)OC
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(8-11)12-3/h5-7,10H,4,8,11H2,1-3H3/b7-6-,9-5+
InChIKeyHCCOULMFAUQOFB-QRLJIZSYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
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

(Z,4E)-4-ethylidene-1-fluoro-3-methoxynon-5-en-2-amine
CID 129313612
(Z,5E)-5-ethylidene-8-fluoro-6-methoxyoct-3-ene-1,7-diamine
CID 129313631
[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
CID 142279462
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)-3-fluoro-1-methoxypropan-2-amine
CID 145467293
(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine
CID 143418433
(4-Methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 55289776
[(5R)-5-ethyl-3-methyl-2,5-dihydrofuran-2-yl]methanamine
CID 59859713
(1-Methoxycyclohexa-2,4-dien-1-yl)methanamine
CID 67613783
2-(6-Bromo-3,6-dimethylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 70466580
1-(6-Methoxy-6,7-dihydronaphthalen-2-yl)propan-2-amine
CID 70917892
2-(4-Methylpent-3-en-2-yloxy)ethanamine
CID 87594390

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine?
The IUPAC name of (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine (CID 142144487) is (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine.
What is the SMILES notation for (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine?
The canonical SMILES for (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine is C/C=C(\C=C/CC)C(CN)OC.
What is the InChIKey of (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine?
The InChIKey is HCCOULMFAUQOFB-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(8-11)12-3/h5-7,10H,4,8,11H2,1-3H3/b7-6-,9-5+.
What are the key properties of (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine?
(Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-2-methoxyhept-4-en-1-amine is sourced from PubChem (CID 142144487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).