(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine

C9H14N3P — CID 118500942

IUPAC(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine
SMILESNNc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C9H14N3P/c10-11-9-2-1-8-6-12(13)4-3-7(8)5-9/h1-2,5,11H,3-4,6,10,13H2
InChIKeyHULNAWSQZJXRKR-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.12
Rot. Bonds1

About (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine

(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine (PubChem CID 118500942) has the molecular formula C9H14N3P and a molecular weight of 195.21 g/mol. Its IUPAC name is (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine.

Molecular Properties

Compound Name(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine
PubChem CID118500942
Molecular FormulaC9H14N3P
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine
SMILESNNc1ccc2c(c1)CCN(P)C2
InChIInChI=1S/C9H14N3P/c10-11-9-2-1-8-6-12(13)4-3-7(8)5-9/h1-2,5,11H,3-4,6,10,13H2
InChIKeyHULNAWSQZJXRKR-UHFFFAOYSA-N
XLogP1.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 59950877
(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 90944777
(2-methyl-1,3-dihydroisoindol-5-yl)hydrazine
CID 55281459
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)hydrazine
CID 144877463
ethane;(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)hydrazine
CID 144877462
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
1H-inden-5-ylhydrazine
CID 141194274
3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 129213634
2-methyl-1-[6-(propan-2-ylamino)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 177160849
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597

Frequently Asked Questions

What is the IUPAC name of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine?
The IUPAC name of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine (CID 118500942) is (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine.
What is the SMILES notation for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine?
The canonical SMILES for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine is NNc1ccc2c(c1)CCN(P)C2.
What is the InChIKey of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine?
The InChIKey is HULNAWSQZJXRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3P/c10-11-9-2-1-8-6-12(13)4-3-7(8)5-9/h1-2,5,11H,3-4,6,10,13H2.
What are the key properties of (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine?
(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine has a molecular weight of 195.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)hydrazine is sourced from PubChem (CID 118500942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).