N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine

C12H22N4 — CID 62470146

IUPACN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1ccnc(NN)c1
InChIInChI=1S/C12H22N4/c1-4-10(2)8-16(3)9-11-5-6-14-12(7-11)15-13/h5-7,10H,4,8-9,13H2,1-3H3,(H,14,15)
InChIKeyDKPGNNGDNKLUFP-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine

N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 62470146) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID62470146
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1ccnc(NN)c1
InChIInChI=1S/C12H22N4/c1-4-10(2)8-16(3)9-11-5-6-14-12(7-11)15-13/h5-7,10H,4,8-9,13H2,1-3H3,(H,14,15)
InChIKeyDKPGNNGDNKLUFP-UHFFFAOYSA-N
XLogP1.85
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine (CID 62470146) is N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1ccnc(NN)c1.
What is the InChIKey of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is DKPGNNGDNKLUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-10(2)8-16(3)9-11-5-6-14-12(7-11)15-13/h5-7,10H,4,8-9,13H2,1-3H3,(H,14,15).
What are the key properties of N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine?
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62470146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).