ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine

C15H26N2O — CID 144840756

IUPACethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
SMILESCC.CC.CN1CCCc2cc(/C=N/O)ccc21
InChIInChI=1S/C11H14N2O.2C2H6/c1-13-6-2-3-10-7-9(8-12-14)4-5-11(10)13;2*1-2/h4-5,7-8,14H,2-3,6H2,1H3;2*1-2H3/b12-8+;;
InChIKeyPNKHPLUCBJCHHR-BPWZRWDXSA-N
MW250.39 g/mol
LogP3.93
Rot. Bonds1

About ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine

ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine (PubChem CID 144840756) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Nameethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
PubChem CID144840756
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine
SMILESCC.CC.CN1CCCc2cc(/C=N/O)ccc21
InChIInChI=1S/C11H14N2O.2C2H6/c1-13-6-2-3-10-7-9(8-12-14)4-5-11(10)13;2*1-2/h4-5,7-8,14H,2-3,6H2,1H3;2*1-2H3/b12-8+;;
InChIKeyPNKHPLUCBJCHHR-BPWZRWDXSA-N
XLogP3.93
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.93
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

1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
CID 2793014
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
2-methyl-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-en-1-amine
CID 79329028
N-[(1-amino-2,3-dihydroindol-5-yl)methylidene]hydroxylamine
CID 131866636
(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
CID 103091685
2-hydroxyethyl (E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoate
CID 75418643
1-methyl-3,4-dihydro-2H-quinoline-7-carbaldehyde
CID 82411141
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
1-methyl-6-piperidin-1-yl-3,4-dihydro-2H-quinoline
CID 82538182
2-fluoro-3-(1-methyl-2,3-dihydroindol-5-yl)prop-2-enoic acid
CID 79725695
1-methyl-6-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 118445980

Frequently Asked Questions

What is the IUPAC name of ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine (CID 144840756) is ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine is CC.CC.CN1CCCc2cc(/C=N/O)ccc21.
What is the InChIKey of ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine?
The InChIKey is PNKHPLUCBJCHHR-BPWZRWDXSA-N. The full InChI is InChI=1S/C11H14N2O.2C2H6/c1-13-6-2-3-10-7-9(8-12-14)4-5-11(10)13;2*1-2/h4-5,7-8,14H,2-3,6H2,1H3;2*1-2H3/b12-8+;;.
What are the key properties of ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine?
ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine has a molecular weight of 250.39 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(NE)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 144840756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).