N-[(2-methylhydrazinyl)methyl]butan-1-amine

C6H17N3 — CID 123519856

IUPACN-[(2-methylhydrazinyl)methyl]butan-1-amine
SMILESCCCCNCNNC
InChIInChI=1S/C6H17N3/c1-3-4-5-8-6-9-7-2/h7-9H,3-6H2,1-2H3
InChIKeyAAAZNXMDTWERJF-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.06
Rot. Bonds6

About N-[(2-methylhydrazinyl)methyl]butan-1-amine

N-[(2-methylhydrazinyl)methyl]butan-1-amine (PubChem CID 123519856) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N-[(2-methylhydrazinyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-methylhydrazinyl)methyl]butan-1-amine
PubChem CID123519856
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN-[(2-methylhydrazinyl)methyl]butan-1-amine
SMILESCCCCNCNNC
InChIInChI=1S/C6H17N3/c1-3-4-5-8-6-9-7-2/h7-9H,3-6H2,1-2H3
InChIKeyAAAZNXMDTWERJF-UHFFFAOYSA-N
XLogP0.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-methylhydrazinyl)methyl]butan-1-amine?
The IUPAC name of N-[(2-methylhydrazinyl)methyl]butan-1-amine (CID 123519856) is N-[(2-methylhydrazinyl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-methylhydrazinyl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-methylhydrazinyl)methyl]butan-1-amine is CCCCNCNNC.
What is the InChIKey of N-[(2-methylhydrazinyl)methyl]butan-1-amine?
The InChIKey is AAAZNXMDTWERJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-3-4-5-8-6-9-7-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-[(2-methylhydrazinyl)methyl]butan-1-amine?
N-[(2-methylhydrazinyl)methyl]butan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylhydrazinyl)methyl]butan-1-amine is sourced from PubChem (CID 123519856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).