N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine

C11H16N2O — CID 86738152

IUPACN-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
SMILESCC(CCN(C)c1ccccc1)=NO
InChIInChI=1S/C11H16N2O/c1-10(12-14)8-9-13(2)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeyMAZQXLFQNLXCKS-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.36
Rot. Bonds4

About N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine

N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine (PubChem CID 86738152) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
PubChem CID86738152
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
SMILESCC(CCN(C)c1ccccc1)=NO
InChIInChI=1S/C11H16N2O/c1-10(12-14)8-9-13(2)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3
InChIKeyMAZQXLFQNLXCKS-UHFFFAOYSA-N
XLogP2.36
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 111037460
(NE)-N-[1-amino-3-(N-methylanilino)propan-2-ylidene]hydroxylamine
CID 119092948
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
N-methyl-N-[(E)-pent-3-enyl]aniline
CID 162403387
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine?
The IUPAC name of N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine (CID 86738152) is N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine is CC(CCN(C)c1ccccc1)=NO.
What is the InChIKey of N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine?
The InChIKey is MAZQXLFQNLXCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(12-14)8-9-13(2)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3.
What are the key properties of N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine?
N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine has a molecular weight of 192.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 86738152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).