N-methyl-N-(pentan-3-ylideneamino)aniline

C12H18N2 — CID 14971386

IUPACN-methyl-N-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NN(C)c1ccccc1
InChIInChI=1S/C12H18N2/c1-4-11(5-2)13-14(3)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKeyJMNOPUMFBMNRKS-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.30
Rot. Bonds4

About N-methyl-N-(pentan-3-ylideneamino)aniline

N-methyl-N-(pentan-3-ylideneamino)aniline (PubChem CID 14971386) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-N-(pentan-3-ylideneamino)aniline.

Molecular Properties

Compound NameN-methyl-N-(pentan-3-ylideneamino)aniline
PubChem CID14971386
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-N-(pentan-3-ylideneamino)aniline
SMILESCCC(CC)=NN(C)c1ccccc1
InChIInChI=1S/C12H18N2/c1-4-11(5-2)13-14(3)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKeyJMNOPUMFBMNRKS-UHFFFAOYSA-N
XLogP3.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-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

N-Methyl-N-nitrosoaniline
CID 11957
N,N,N',N'-tetramethyl-p-phenylenediamine
CID 7490
N-Nitroso-N-ethylaniline
CID 11929
1-Ethyl-1-phenylhydrazine
CID 69517
N-methyl-N-phenyl-hydrazine
CID 36299
3-Amino-1-phenylpyrazole
CID 98736
Simtrazene
CID 5357669
N-butyl-N-nitrosoaniline
CID 146990
3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-
CID 80812
N-(4-((4-(dimethylamino)phenyl)imino)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium
CID 73517
(2E)-2-Ethylidene-1,1-diphenylhydrazine
CID 9562463
1,2-Diethyl-1,2-diphenylhydrazine
CID 3346567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pentan-3-ylideneamino)aniline?
The IUPAC name of N-methyl-N-(pentan-3-ylideneamino)aniline (CID 14971386) is N-methyl-N-(pentan-3-ylideneamino)aniline.
What is the SMILES notation for N-methyl-N-(pentan-3-ylideneamino)aniline?
The canonical SMILES for N-methyl-N-(pentan-3-ylideneamino)aniline is CCC(CC)=NN(C)c1ccccc1.
What is the InChIKey of N-methyl-N-(pentan-3-ylideneamino)aniline?
The InChIKey is JMNOPUMFBMNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-11(5-2)13-14(3)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-(pentan-3-ylideneamino)aniline?
N-methyl-N-(pentan-3-ylideneamino)aniline has a molecular weight of 190.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pentan-3-ylideneamino)aniline is sourced from PubChem (CID 14971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).