(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene

C19H35NO — CID 142550153

IUPAC(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene
SMILESC/C=C/N(CCCC)CC(/C=C\CC)=C/C.C=CCOC
InChIInChI=1S/C15H27N.C4H8O/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2;1-3-4-5-2/h7-9,11-12H,5-6,10,13-14H2,1-4H3;3H,1,4H2,2H3/b11-9-,12-7+,15-8+;
InChIKeyQXIFJIJNKLBBST-IITGLXSXSA-N
MW293.50 g/mol
LogP5.35
Rot. Bonds10

About (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene

(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene (PubChem CID 142550153) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene.

Molecular Properties

Compound Name(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene
PubChem CID142550153
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene
SMILESC/C=C/N(CCCC)CC(/C=C\CC)=C/C.C=CCOC
InChIInChI=1S/C15H27N.C4H8O/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2;1-3-4-5-2/h7-9,11-12H,5-6,10,13-14H2,1-4H3;3H,1,4H2,2H3/b11-9-,12-7+,15-8+;
InChIKeyQXIFJIJNKLBBST-IITGLXSXSA-N
XLogP5.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene with MolForge

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Launch Full Analysis

Related Compounds

5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
CID 70255589
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
triethyl-[(2E,4Z)-6-(methoxymethyl)-2-methylhepta-2,4,6-trienyl]azanium
CID 142241501
ethane;(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549975
ethane;(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550009
ethane;2-methoxy-1,5-dimethyl-2H-pyridine
CID 143678092
ethane;(2E,4E)-N-ethyl-N-methyl-2-[(E)-prop-1-enyl]hexa-2,4-dien-1-amine;methoxyethane
CID 143996936
ethane;(2Z,3E)-3-[(1Z)-3-ethoxy-2-methylbuta-1,3-dienyl]-N-ethyl-2-ethylidene-N-methylhepta-3,6-dien-1-amine
CID 176934058
(1E,3Z)-N-ethyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]-4-methylhexa-1,3,5-trien-1-amine
CID 142549976
(Z,2E)-2-ethylidene-5-methoxy-N-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-N-pentylhex-3-en-1-amine
CID 142550010
(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
CID 142550031

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene?
The IUPAC name of (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene (CID 142550153) is (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene.
What is the SMILES notation for (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene?
The canonical SMILES for (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene is C/C=C/N(CCCC)CC(/C=C\CC)=C/C.C=CCOC.
What is the InChIKey of (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene?
The InChIKey is QXIFJIJNKLBBST-IITGLXSXSA-N. The full InChI is InChI=1S/C15H27N.C4H8O/c1-5-9-11-15(8-4)14-16(12-7-3)13-10-6-2;1-3-4-5-2/h7-9,11-12H,5-6,10,13-14H2,1-4H3;3H,1,4H2,2H3/b11-9-,12-7+,15-8+;.
What are the key properties of (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene?
(Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene has a molecular weight of 293.50 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-N-butyl-2-ethylidene-N-[(E)-prop-1-enyl]hex-3-en-1-amine;3-methoxyprop-1-ene is sourced from PubChem (CID 142550153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).