ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen

C10H18N2 — CID 145355846

IUPACethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen
SMILESC=NC1=C(N)C=CCC=C1.CC.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-10-8-6-4-2-3-5-7(8)9;1-2;/h3-6H,1-2,9H2;1-2H3;1H
InChIKeyDWGBJFCKIQMNBX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.65
Rot. Bonds1

About ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen

ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen (PubChem CID 145355846) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen
PubChem CID145355846
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen
SMILESC=NC1=C(N)C=CCC=C1.CC.[H][H]
InChIInChI=1S/C8H10N2.C2H6.H2/c1-10-8-6-4-2-3-5-7(8)9;1-2;/h3-6H,1-2,9H2;1-2H3;1H
InChIKeyDWGBJFCKIQMNBX-UHFFFAOYSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen?
The IUPAC name of ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen (CID 145355846) is ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen?
The canonical SMILES for ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen is C=NC1=C(N)C=CCC=C1.CC.[H][H].
What is the InChIKey of ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen?
The InChIKey is DWGBJFCKIQMNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C2H6.H2/c1-10-8-6-4-2-3-5-7(8)9;1-2;/h3-6H,1-2,9H2;1-2H3;1H.
What are the key properties of ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen?
ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen has a molecular weight of 166.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylideneamino)cyclohepta-1,3,6-trien-1-amine;molecular hydrogen is sourced from PubChem (CID 145355846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).