4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

C12H19N3 — CID 172971736

IUPAC4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N/N(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3/c1-10(13-15(4)5)11-6-8-12(9-7-11)14(2)3/h6-9H,1-5H3/b13-10-
InChIKeyBMHYMTBPPBGHDU-RAXLEYEMSA-N
MW205.30 g/mol
LogP2.04
Rot. Bonds3

About 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline

4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (PubChem CID 172971736) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
PubChem CID172971736
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
SMILESC/C(=N/N(C)C)c1ccc(N(C)C)cc1
InChIInChI=1S/C12H19N3/c1-10(13-15(4)5)11-6-8-12(9-7-11)14(2)3/h6-9H,1-5H3/b13-10-
InChIKeyBMHYMTBPPBGHDU-RAXLEYEMSA-N
XLogP2.04
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
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'}

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Related Compounds

2-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]guanidine
CID 9017548
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
N-[(Z)-1-[4-[4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]phenyl]sulfinylphenyl]ethylideneamino]-N-methylmethanamine;ethane
CID 144812540
N-[(E)-1-(5,8-diethylnaphthalen-2-yl)ethylideneamino]-N-methylmethanamine
CID 172941167
N-[(E)-1-(3,4-diethylphenyl)ethylideneamino]-N-methylmethanamine
CID 172971426
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
CID 69397190
CID 69397190
CID 102282703
CID 102282703
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline (CID 172971736) is 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is C/C(=N/N(C)C)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
The InChIKey is BMHYMTBPPBGHDU-RAXLEYEMSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(13-15(4)5)11-6-8-12(9-7-11)14(2)3/h6-9H,1-5H3/b13-10-.
What are the key properties of 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline?
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline has a molecular weight of 205.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline is sourced from PubChem (CID 172971736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).