azane;cyclohexa-1,3-diene;methanamine

C7H16N2 — CID 143036167

IUPACazane;cyclohexa-1,3-diene;methanamine
SMILESC1=CCCC=C1.CN.N
InChIInChI=1S/C6H8.CH5N.H3N/c1-2-4-6-5-3-1;1-2;/h1-4H,5-6H2;2H2,1H3;1H3
InChIKeyJFWNRRKVMYLWFT-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.63
Rot. Bonds

About azane;cyclohexa-1,3-diene;methanamine

azane;cyclohexa-1,3-diene;methanamine (PubChem CID 143036167) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is azane;cyclohexa-1,3-diene;methanamine.

Molecular Properties

Compound Nameazane;cyclohexa-1,3-diene;methanamine
PubChem CID143036167
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameazane;cyclohexa-1,3-diene;methanamine
SMILESC1=CCCC=C1.CN.N
InChIInChI=1S/C6H8.CH5N.H3N/c1-2-4-6-5-3-1;1-2;/h1-4H,5-6H2;2H2,1H3;1H3
InChIKeyJFWNRRKVMYLWFT-UHFFFAOYSA-N
XLogP1.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
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CID 68982251
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(5E,9E)-cyclododeca-1,3,5,9-tetraene
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cyclohepta-1,3-diene;cyclohexa-1,3-diene
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carbon monoxide;cyclohexa-1,3-diene;ruthenium
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cyclotetradeca-1,3,6,9,11-pentaene
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Frequently Asked Questions

What is the IUPAC name of azane;cyclohexa-1,3-diene;methanamine?
The IUPAC name of azane;cyclohexa-1,3-diene;methanamine (CID 143036167) is azane;cyclohexa-1,3-diene;methanamine.
What is the SMILES notation for azane;cyclohexa-1,3-diene;methanamine?
The canonical SMILES for azane;cyclohexa-1,3-diene;methanamine is C1=CCCC=C1.CN.N.
What is the InChIKey of azane;cyclohexa-1,3-diene;methanamine?
The InChIKey is JFWNRRKVMYLWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.CH5N.H3N/c1-2-4-6-5-3-1;1-2;/h1-4H,5-6H2;2H2,1H3;1H3.
What are the key properties of azane;cyclohexa-1,3-diene;methanamine?
azane;cyclohexa-1,3-diene;methanamine has a molecular weight of 128.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexa-1,3-diene;methanamine is sourced from PubChem (CID 143036167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).