aniline;azane

C12H17N3 — CID 171780637

IUPACaniline;azane
SMILESN.Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/2C6H7N.H3N/c2*7-6-4-2-1-3-5-6;/h2*1-5H,7H2;1H3
InChIKeyZOSZDSRRFWLJAY-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds

About aniline;azane

aniline;azane (PubChem CID 171780637) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is aniline;azane.

Molecular Properties

Compound Nameaniline;azane
PubChem CID171780637
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameaniline;azane
SMILESN.Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/2C6H7N.H3N/c2*7-6-4-2-1-3-5-6;/h2*1-5H,7H2;1H3
InChIKeyZOSZDSRRFWLJAY-UHFFFAOYSA-N
XLogP2.70
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

aniline;mercury
CID 54604260
aniline;mercury(2+)
CID 23616182
aniline;niobium
CID 161015220
aniline;azane;1,1'-biphenyl
CID 172863138
aniline;carbanide;hafnium
CID 158735732
zinc;aniline;dichloride
CID 70636252
aniline;pentakis(oxygen(2-));bis(vanadium)
CID 173287766
aniline;sulfane;hydrofluoride
CID 174744569
magnesium;aniline;carbanide
CID 87207909
CID 158400952
CID 158400952
aniline;methanol
CID 140536335
sodium;aniline;hydride;dihydrate
CID 173275717

Frequently Asked Questions

What is the IUPAC name of aniline;azane?
The IUPAC name of aniline;azane (CID 171780637) is aniline;azane.
What is the SMILES notation for aniline;azane?
The canonical SMILES for aniline;azane is N.Nc1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;azane?
The InChIKey is ZOSZDSRRFWLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.H3N/c2*7-6-4-2-1-3-5-6;/h2*1-5H,7H2;1H3.
What are the key properties of aniline;azane?
aniline;azane has a molecular weight of 203.29 g/mol, XLogP of 2.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;azane is sourced from PubChem (CID 171780637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).