N-methyl-3-pent-3-enoxyaniline

C12H17NO — CID 68734106

IUPACN-methyl-3-pent-3-enoxyaniline
SMILESCC=CCCOc1cccc(NC)c1
InChIInChI=1S/C12H17NO/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3-4,6-8,10,13H,5,9H2,1-2H3
InChIKeyJJBDZDWSJCVPOC-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-3-pent-3-enoxyaniline

N-methyl-3-pent-3-enoxyaniline (PubChem CID 68734106) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-3-pent-3-enoxyaniline.

Molecular Properties

Compound NameN-methyl-3-pent-3-enoxyaniline
PubChem CID68734106
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-3-pent-3-enoxyaniline
SMILESCC=CCCOc1cccc(NC)c1
InChIInChI=1S/C12H17NO/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3-4,6-8,10,13H,5,9H2,1-2H3
InChIKeyJJBDZDWSJCVPOC-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[(E)-octadec-9-enoxy]aniline;hydrochloride
CID 174998877
3-hex-4-ynoxy-N-methylaniline
CID 68734426
3-[2-(2-hexoxyethoxy)ethoxy]-N-methylaniline
CID 58828283
(3-hex-4-enoxyphenyl)methanamine
CID 68779575
1-amino-2-[3-(methylamino)phenoxy]ethanol
CID 66691374
N-(3-hex-4-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733416
amino-(3-hex-4-enoxyphenyl)methanol
CID 91200964
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
1-fluoro-3-hex-3-enoxybenzene
CID 91033540
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-methyl-3-(4-propoxyphenyl)aniline
CID 106505758
N-phenyl-3-propoxyaniline
CID 71334741

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pent-3-enoxyaniline?
The IUPAC name of N-methyl-3-pent-3-enoxyaniline (CID 68734106) is N-methyl-3-pent-3-enoxyaniline.
What is the SMILES notation for N-methyl-3-pent-3-enoxyaniline?
The canonical SMILES for N-methyl-3-pent-3-enoxyaniline is CC=CCCOc1cccc(NC)c1.
What is the InChIKey of N-methyl-3-pent-3-enoxyaniline?
The InChIKey is JJBDZDWSJCVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-5-9-14-12-8-6-7-11(10-12)13-2/h3-4,6-8,10,13H,5,9H2,1-2H3.
What are the key properties of N-methyl-3-pent-3-enoxyaniline?
N-methyl-3-pent-3-enoxyaniline has a molecular weight of 191.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pent-3-enoxyaniline is sourced from PubChem (CID 68734106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).