N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine

C12H21ClN4 — CID 62892380

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H21ClN4/c1-3-7-17(8-4-2)9-11-10(13)5-6-12(15-11)16-14/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyXVUISGVQSIPKQP-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.64
Rot. Bonds7

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine (PubChem CID 62892380) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
PubChem CID62892380
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C12H21ClN4/c1-3-7-17(8-4-2)9-11-10(13)5-6-12(15-11)16-14/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyXVUISGVQSIPKQP-UHFFFAOYSA-N
XLogP2.64
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylpropan-1-amine
CID 62892236
5-chloro-6-[(dipropylamino)methyl]-N-methylpyridin-2-amine
CID 62891120
5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propanenitrile
CID 62891363
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylpropan-2-amine
CID 62892231
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
CID 62891160
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-methylaniline
CID 62891013
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]propan-2-ol
CID 62892238
3-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 62890826
[5-chloro-6-(methoxymethyl)-2-pyridinyl]hydrazine
CID 62884913
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl-methylamino]-N-methylacetamide
CID 62891649

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine (CID 62892380) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nc(NN)ccc1Cl.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine?
The InChIKey is XVUISGVQSIPKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4/c1-3-7-17(8-4-2)9-11-10(13)5-6-12(15-11)16-14/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine has a molecular weight of 256.78 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 62892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).