(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine

C10H15N3O — CID 102544509

IUPAC(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)cnc1NC(C)C
InChIInChI=1S/C10H15N3O/c1-7(2)13-10-8(3)4-9(5-11-10)6-12-14/h4-7,14H,1-3H3,(H,11,13)/b12-6+
InChIKeyJJGCAPIPJYZIFB-WUXMJOGZSA-N
MW193.25 g/mol
LogP2.02
Rot. Bonds3

About (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine

(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine (PubChem CID 102544509) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
PubChem CID102544509
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
SMILESCc1cc(/C=N/O)cnc1NC(C)C
InChIInChI=1S/C10H15N3O/c1-7(2)13-10-8(3)4-9(5-11-10)6-12-14/h4-7,14H,1-3H3,(H,11,13)/b12-6+
InChIKeyJJGCAPIPJYZIFB-WUXMJOGZSA-N
XLogP2.02
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 131847194
N-[[5-methyl-6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 131847171
3,5-dimethyl-N-propan-2-ylpyridin-2-amine
CID 130223836
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
5-chloro-3-methyl-N-propan-2-ylpyridin-2-amine;ethane
CID 156849552
5-[(Z)-hydroxyiminomethyl]-2-methylpyridin-3-ol
CID 143990802
(NE)-N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methylidene]hydroxylamine
CID 102544681
N-ethyl-5-methyl-6-(propan-2-ylamino)pyridine-3-sulfonamide
CID 96665001
(NZ)-N-[[5-methyl-6-(N-methylanilino)-3-pyridinyl]methylidene]hydroxylamine
CID 124501354
3-methyl-2-N,5-N-bis(4-methylpentan-2-yl)pyridine-2,5-diamine
CID 171819697
(NZ)-N-[[6-(methylamino)-3-pyridinyl]methylidene]hydroxylamine
CID 124502737
(5-ethenyl-3-methyl-2-pyridinyl)hydrazine
CID 74888717

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine (CID 102544509) is (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine is Cc1cc(/C=N/O)cnc1NC(C)C.
What is the InChIKey of (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine?
The InChIKey is JJGCAPIPJYZIFB-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-10-8(3)4-9(5-11-10)6-12-14/h4-7,14H,1-3H3,(H,11,13)/b12-6+.
What are the key properties of (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine?
(NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine has a molecular weight of 193.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-methyl-6-(propan-2-ylamino)-3-pyridinyl]methylidene]hydroxylamine is sourced from PubChem (CID 102544509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).