N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline

C13H18N2 — CID 144820001

IUPACN-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline
SMILESC=C=CC(Cc1ccc(NC)cc1)NC
InChIInChI=1S/C13H18N2/c1-4-5-13(15-3)10-11-6-8-12(14-2)9-7-11/h5-9,13-15H,1,10H2,2-3H3
InChIKeyFJFHHFFKUZSMPL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline

N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline (PubChem CID 144820001) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline
PubChem CID144820001
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline
SMILESC=C=CC(Cc1ccc(NC)cc1)NC
InChIInChI=1S/C13H18N2/c1-4-5-13(15-3)10-11-6-8-12(14-2)9-7-11/h5-9,13-15H,1,10H2,2-3H3
InChIKeyFJFHHFFKUZSMPL-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445
2-(dimethylamino)-N,N-dimethyl-3-[4-(methylamino)phenyl]propanamide
CID 90816184
1-(4-ethoxyphenyl)-N-methylbut-3-en-2-amine
CID 91072459
ethane;[4-(methylamino)phenyl]methanethiol
CID 143570077
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
3-[4-(methylamino)phenyl]propanenitrile
CID 131609769
4-[[4-(methylamino)phenyl]methyl]benzonitrile
CID 147207222
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
4-(4-ethylphenyl)-N-methylaniline
CID 83639646

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline?
The IUPAC name of N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline (CID 144820001) is N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline.
What is the SMILES notation for N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline?
The canonical SMILES for N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline is C=C=CC(Cc1ccc(NC)cc1)NC.
What is the InChIKey of N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline?
The InChIKey is FJFHHFFKUZSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-5-13(15-3)10-11-6-8-12(14-2)9-7-11/h5-9,13-15H,1,10H2,2-3H3.
What are the key properties of N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline?
N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline has a molecular weight of 202.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(methylamino)penta-3,4-dienyl]aniline is sourced from PubChem (CID 144820001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).