azane;benzene;cyclohexane

C12H21N — CID 174262172

IUPACazane;benzene;cyclohexane
SMILESC1CCCCC1.N.c1ccccc1
InChIInChI=1S/C6H12.C6H6.H3N/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H3
InChIKeyCYLKDNUUKPIPBY-UHFFFAOYSA-N
MW179.31 g/mol
LogP4.19
Rot. Bonds

About azane;benzene;cyclohexane

azane;benzene;cyclohexane (PubChem CID 174262172) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is azane;benzene;cyclohexane.

Molecular Properties

Compound Nameazane;benzene;cyclohexane
PubChem CID174262172
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameazane;benzene;cyclohexane
SMILESC1CCCCC1.N.c1ccccc1
InChIInChI=1S/C6H12.C6H6.H3N/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H3
InChIKeyCYLKDNUUKPIPBY-UHFFFAOYSA-N
XLogP4.19
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;benzene;cyclohexane?
The IUPAC name of azane;benzene;cyclohexane (CID 174262172) is azane;benzene;cyclohexane.
What is the SMILES notation for azane;benzene;cyclohexane?
The canonical SMILES for azane;benzene;cyclohexane is C1CCCCC1.N.c1ccccc1.
What is the InChIKey of azane;benzene;cyclohexane?
The InChIKey is CYLKDNUUKPIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.H3N/c2*1-2-4-6-5-3-1;/h1-6H2;1-6H;1H3.
What are the key properties of azane;benzene;cyclohexane?
azane;benzene;cyclohexane has a molecular weight of 179.31 g/mol, XLogP of 4.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene;cyclohexane is sourced from PubChem (CID 174262172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).