acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline

C19H27NO — CID 143963350

IUPACacetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline
SMILESC#C.C/C=C\OC.C=CC(=C)C(CC)Nc1ccccc1
InChIInChI=1S/C13H17N.C4H8O.C2H2/c1-4-11(3)13(5-2)14-12-9-7-6-8-10-12;1-3-4-5-2;1-2/h4,6-10,13-14H,1,3,5H2,2H3;3-4H,1-2H3;1-2H/b;4-3-;
InChIKeyKKFIEEAYNHLDCE-LWFKIUJUSA-N
MW285.43 g/mol
LogP5.04
Rot. Bonds6

About acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline

acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline (PubChem CID 143963350) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline.

Molecular Properties

Compound Nameacetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline
PubChem CID143963350
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Nameacetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline
SMILESC#C.C/C=C\OC.C=CC(=C)C(CC)Nc1ccccc1
InChIInChI=1S/C13H17N.C4H8O.C2H2/c1-4-11(3)13(5-2)14-12-9-7-6-8-10-12;1-3-4-5-2;1-2/h4,6-10,13-14H,1,3,5H2,2H3;3-4H,1-2H3;1-2H/b;4-3-;
InChIKeyKKFIEEAYNHLDCE-LWFKIUJUSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.04
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline?
The IUPAC name of acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline (CID 143963350) is acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline.
What is the SMILES notation for acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline?
The canonical SMILES for acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline is C#C.C/C=C\OC.C=CC(=C)C(CC)Nc1ccccc1.
What is the InChIKey of acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline?
The InChIKey is KKFIEEAYNHLDCE-LWFKIUJUSA-N. The full InChI is InChI=1S/C13H17N.C4H8O.C2H2/c1-4-11(3)13(5-2)14-12-9-7-6-8-10-12;1-3-4-5-2;1-2/h4,6-10,13-14H,1,3,5H2,2H3;3-4H,1-2H3;1-2H/b;4-3-;.
What are the key properties of acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline?
acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline has a molecular weight of 285.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z)-1-methoxyprop-1-ene;N-(4-methylidenehex-5-en-3-yl)aniline is sourced from PubChem (CID 143963350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).