N,5-dimethyl-2-(propan-2-ylideneamino)aniline

C11H16N2 — CID 137484218

IUPACN,5-dimethyl-2-(propan-2-ylideneamino)aniline
SMILESCNc1cc(C)ccc1N=C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-10-6-5-9(3)7-11(10)12-4/h5-7,12H,1-4H3
InChIKeyFWDMQHDNEMDYOI-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.15
Rot. Bonds2

About N,5-dimethyl-2-(propan-2-ylideneamino)aniline

N,5-dimethyl-2-(propan-2-ylideneamino)aniline (PubChem CID 137484218) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N,5-dimethyl-2-(propan-2-ylideneamino)aniline.

Molecular Properties

Compound NameN,5-dimethyl-2-(propan-2-ylideneamino)aniline
PubChem CID137484218
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN,5-dimethyl-2-(propan-2-ylideneamino)aniline
SMILESCNc1cc(C)ccc1N=C(C)C
InChIInChI=1S/C11H16N2/c1-8(2)13-10-6-5-9(3)7-11(10)12-4/h5-7,12H,1-4H3
InChIKeyFWDMQHDNEMDYOI-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylidene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium
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1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
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1-(p-Tolyl)piperazine
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2,3-Dihydro-2,2,4-trimethyl-1H-1,5-benzodiazepine
CID 291064

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-(propan-2-ylideneamino)aniline?
The IUPAC name of N,5-dimethyl-2-(propan-2-ylideneamino)aniline (CID 137484218) is N,5-dimethyl-2-(propan-2-ylideneamino)aniline.
What is the SMILES notation for N,5-dimethyl-2-(propan-2-ylideneamino)aniline?
The canonical SMILES for N,5-dimethyl-2-(propan-2-ylideneamino)aniline is CNc1cc(C)ccc1N=C(C)C.
What is the InChIKey of N,5-dimethyl-2-(propan-2-ylideneamino)aniline?
The InChIKey is FWDMQHDNEMDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)13-10-6-5-9(3)7-11(10)12-4/h5-7,12H,1-4H3.
What are the key properties of N,5-dimethyl-2-(propan-2-ylideneamino)aniline?
N,5-dimethyl-2-(propan-2-ylideneamino)aniline has a molecular weight of 176.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-(propan-2-ylideneamino)aniline is sourced from PubChem (CID 137484218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).