N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline

C14H21NO — CID 176922442

IUPACN-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
SMILESCCCOC/C=C(/C)N(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-11-16-12-10-13(2)15(3)14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3/b13-10-
InChIKeyBESBXSICNCPXIX-RAXLEYEMSA-N
MW219.33 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline

N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline (PubChem CID 176922442) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
PubChem CID176922442
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline
SMILESCCCOC/C=C(/C)N(C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-4-11-16-12-10-13(2)15(3)14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3/b13-10-
InChIKeyBESBXSICNCPXIX-RAXLEYEMSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(Z)-4-propoxybut-2-en-2-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

Related Compounds

acetylene;N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]benzamide;propane;1-propoxybutane
CID 176922309
[(E)-4-hexadecoxybut-2-en-2-yl]benzene
CID 102429308
N-methyl-N-[(E)-1-phenoxyprop-1-en-2-yl]aniline
CID 13250447
N-methyl-N-propoxyaniline
CID 14117102
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
CID 24975986
N-hex-2-en-3-yl-N-methylaniline
CID 76766194
4-fluoro-N-methyl-N-[(E)-pent-2-en-2-yl]aniline
CID 170134397
N-iodo-N-(2-propoxyethyl)aniline
CID 174306758
phenol;propane;1-propoxypropane
CID 162084226
1-methyl-3-[(E)-2-methylbut-1-enyl]-1-phenylurea
CID 108914323
(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
CID 135303694
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline?
The IUPAC name of N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline (CID 176922442) is N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline.
What is the SMILES notation for N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline?
The canonical SMILES for N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline is CCCOC/C=C(/C)N(C)c1ccccc1.
What is the InChIKey of N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline?
The InChIKey is BESBXSICNCPXIX-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-11-16-12-10-13(2)15(3)14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3/b13-10-.
What are the key properties of N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline?
N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline has a molecular weight of 219.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-4-propoxybut-2-en-2-yl]aniline is sourced from PubChem (CID 176922442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).