4-(1-cyclopropylethenyl)-N,N-dimethylaniline

C13H17N — CID 168864381

IUPAC4-(1-cyclopropylethenyl)-N,N-dimethylaniline
SMILESC=C(c1ccc(N(C)C)cc1)C1CC1
InChIInChI=1S/C13H17N/c1-10(11-4-5-11)12-6-8-13(9-7-12)14(2)3/h6-9,11H,1,4-5H2,2-3H3
InChIKeyNNGYTNXUSKDMAQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.18
Rot. Bonds3

About 4-(1-cyclopropylethenyl)-N,N-dimethylaniline

4-(1-cyclopropylethenyl)-N,N-dimethylaniline (PubChem CID 168864381) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-(1-cyclopropylethenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-cyclopropylethenyl)-N,N-dimethylaniline
PubChem CID168864381
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-(1-cyclopropylethenyl)-N,N-dimethylaniline
SMILESC=C(c1ccc(N(C)C)cc1)C1CC1
InChIInChI=1S/C13H17N/c1-10(11-4-5-11)12-6-8-13(9-7-12)14(2)3/h6-9,11H,1,4-5H2,2-3H3
InChIKeyNNGYTNXUSKDMAQ-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
CID 19868016
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
N,N-dimethyl-4-(1-nitroethenyl)aniline
CID 87729881
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanethione
CID 2140180
4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 21400951
CID 102282703
CID 102282703
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-cyclopropylethenyl)-N,N-dimethylaniline (CID 168864381) is 4-(1-cyclopropylethenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-cyclopropylethenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-cyclopropylethenyl)-N,N-dimethylaniline is C=C(c1ccc(N(C)C)cc1)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethenyl)-N,N-dimethylaniline?
The InChIKey is NNGYTNXUSKDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10(11-4-5-11)12-6-8-13(9-7-12)14(2)3/h6-9,11H,1,4-5H2,2-3H3.
What are the key properties of 4-(1-cyclopropylethenyl)-N,N-dimethylaniline?
4-(1-cyclopropylethenyl)-N,N-dimethylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethenyl)-N,N-dimethylaniline is sourced from PubChem (CID 168864381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).