2-diazenyl-N-methylbutan-2-amine

C5H13N3 — CID 163770024

IUPAC2-diazenyl-N-methylbutan-2-amine
SMILES[H]/N=N/C(C)(CC)NC
InChIInChI=1S/C5H13N3/c1-4-5(2,7-3)8-6/h6-7H,4H2,1-3H3/b8-6+
InChIKeyMFPNHHYBVLDZMA-SOFGYWHQSA-N
MW115.18 g/mol
LogP1.36
Rot. Bonds3

About 2-diazenyl-N-methylbutan-2-amine

2-diazenyl-N-methylbutan-2-amine (PubChem CID 163770024) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-diazenyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name2-diazenyl-N-methylbutan-2-amine
PubChem CID163770024
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Name2-diazenyl-N-methylbutan-2-amine
SMILES[H]/N=N/C(C)(CC)NC
InChIInChI=1S/C5H13N3/c1-4-5(2,7-3)8-6/h6-7H,4H2,1-3H3/b8-6+
InChIKeyMFPNHHYBVLDZMA-SOFGYWHQSA-N
XLogP1.36
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-diazenylpropane-1,1-diamine
CID 57165704
2-diazenylpropane-1,2-diol
CID 174859273
2,3-dimethylbutan-2-yldiazene
CID 130441706
1-diazenyl-2-methylbutan-2-ol
CID 118963685
3-diazenyl-2,2,3,4,4-pentamethylpentanedinitrile
CID 174779390
(2R)-2-diazenyl-2,4,4-trimethylpentanedinitrile
CID 170160766
N-diazenyl-2-methyl-N-(methylamino)propan-2-amine
CID 146512453
2-[(1-imino-2-methylbutan-2-yl)diazenyl]-2-methylbutan-1-imine
CID 87649241
CID 122549987
CID 122549987
3-methyl-3-(methylamino)pentanamide
CID 65236243
1-tert-butyl-2-methyl-1-(2-methylbutan-2-yl)hydrazine
CID 167186133
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484

Frequently Asked Questions

What is the IUPAC name of 2-diazenyl-N-methylbutan-2-amine?
The IUPAC name of 2-diazenyl-N-methylbutan-2-amine (CID 163770024) is 2-diazenyl-N-methylbutan-2-amine.
What is the SMILES notation for 2-diazenyl-N-methylbutan-2-amine?
The canonical SMILES for 2-diazenyl-N-methylbutan-2-amine is [H]/N=N/C(C)(CC)NC.
What is the InChIKey of 2-diazenyl-N-methylbutan-2-amine?
The InChIKey is MFPNHHYBVLDZMA-SOFGYWHQSA-N. The full InChI is InChI=1S/C5H13N3/c1-4-5(2,7-3)8-6/h6-7H,4H2,1-3H3/b8-6+.
What are the key properties of 2-diazenyl-N-methylbutan-2-amine?
2-diazenyl-N-methylbutan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenyl-N-methylbutan-2-amine is sourced from PubChem (CID 163770024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).