N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine

C9H17N3 — CID 89045039

IUPACN-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(NCCNN)C=CC1
InChIInChI=1S/C9H17N3/c1-8-3-2-4-9(7-8)11-5-6-12-10/h2,4,7-8,11-12H,3,5-6,10H2,1H3
InChIKeyQBHCXWJEWPNBFA-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.52
Rot. Bonds4

About N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine

N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 89045039) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID89045039
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(NCCNN)C=CC1
InChIInChI=1S/C9H17N3/c1-8-3-2-4-9(7-8)11-5-6-12-10/h2,4,7-8,11-12H,3,5-6,10H2,1H3
InChIKeyQBHCXWJEWPNBFA-UHFFFAOYSA-N
XLogP0.52
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine (CID 89045039) is N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine is CC1C=C(NCCNN)C=CC1.
What is the InChIKey of N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is QBHCXWJEWPNBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-3-2-4-9(7-8)11-5-6-12-10/h2,4,7-8,11-12H,3,5-6,10H2,1H3.
What are the key properties of N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine?
N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 89045039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).