2-methoxy-N-(pentan-3-ylideneamino)aniline

C12H18N2O — CID 154461263

IUPAC2-methoxy-N-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NNc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-4-10(5-2)13-14-11-8-6-7-9-12(11)15-3/h6-9,14H,4-5H2,1-3H3
InChIKeySUFRPVBDLKOBCL-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.28
Rot. Bonds5

About 2-methoxy-N-(pentan-3-ylideneamino)aniline

2-methoxy-N-(pentan-3-ylideneamino)aniline (PubChem CID 154461263) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-N-(pentan-3-ylideneamino)aniline.

Molecular Properties

Compound Name2-methoxy-N-(pentan-3-ylideneamino)aniline
PubChem CID154461263
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-N-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NNc1ccccc1OC
InChIInChI=1S/C12H18N2O/c1-4-10(5-2)13-14-11-8-6-7-9-12(11)15-3/h6-9,14H,4-5H2,1-3H3
InChIKeySUFRPVBDLKOBCL-UHFFFAOYSA-N
XLogP3.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N-(pentan-3-ylideneamino)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

2-methoxy-N-(1-phenylpropylideneamino)aniline
CID 4990913
2-methoxy-N-[(E)-1-phenylpropylideneamino]aniline
CID 6242685
ethyl 2-[(2-methoxyphenyl)hydrazinylidene]propanoate
CID 85436397
N'-(2-methoxyphenyl)propanehydrazide
CID 606591
2-methoxy-N-[(E)-1-[4-[4-[C-methyl-N-[(2-methylphenyl)methyl]carbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 172975856
ethyl (2E,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2-methoxyphenyl)hydrazinylidene]butanoate
CID 98518100
(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6521294
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-ethyl-3-(2-methoxyphenyl)thiourea
CID 686501
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
1-amino-3-(2-methoxyphenyl)-2-methylguanidine
CID 116510612

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pentan-3-ylideneamino)aniline?
The IUPAC name of 2-methoxy-N-(pentan-3-ylideneamino)aniline (CID 154461263) is 2-methoxy-N-(pentan-3-ylideneamino)aniline.
What is the SMILES notation for 2-methoxy-N-(pentan-3-ylideneamino)aniline?
The canonical SMILES for 2-methoxy-N-(pentan-3-ylideneamino)aniline is CCC(CC)=NNc1ccccc1OC.
What is the InChIKey of 2-methoxy-N-(pentan-3-ylideneamino)aniline?
The InChIKey is SUFRPVBDLKOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-10(5-2)13-14-11-8-6-7-9-12(11)15-3/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-N-(pentan-3-ylideneamino)aniline?
2-methoxy-N-(pentan-3-ylideneamino)aniline has a molecular weight of 206.29 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pentan-3-ylideneamino)aniline is sourced from PubChem (CID 154461263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).