ethane;molecular hydrogen;1-phenylethenamine

C10H17N — CID 156816097

IUPACethane;molecular hydrogen;1-phenylethenamine
SMILESC=C(N)c1ccccc1.CC.[H][H]
InChIInChI=1S/C8H9N.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1,9H2;1-2H3;1H
InChIKeyUPKXCZPAFBCZFF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.89
Rot. Bonds1

About ethane;molecular hydrogen;1-phenylethenamine

ethane;molecular hydrogen;1-phenylethenamine (PubChem CID 156816097) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is ethane;molecular hydrogen;1-phenylethenamine.

Molecular Properties

Compound Nameethane;molecular hydrogen;1-phenylethenamine
PubChem CID156816097
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Nameethane;molecular hydrogen;1-phenylethenamine
SMILESC=C(N)c1ccccc1.CC.[H][H]
InChIInChI=1S/C8H9N.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1,9H2;1-2H3;1H
InChIKeyUPKXCZPAFBCZFF-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1-phenylethenamine?
The IUPAC name of ethane;molecular hydrogen;1-phenylethenamine (CID 156816097) is ethane;molecular hydrogen;1-phenylethenamine.
What is the SMILES notation for ethane;molecular hydrogen;1-phenylethenamine?
The canonical SMILES for ethane;molecular hydrogen;1-phenylethenamine is C=C(N)c1ccccc1.CC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1-phenylethenamine?
The InChIKey is UPKXCZPAFBCZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C2H6.H2/c1-7(9)8-5-3-2-4-6-8;1-2;/h2-6H,1,9H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1-phenylethenamine?
ethane;molecular hydrogen;1-phenylethenamine has a molecular weight of 151.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1-phenylethenamine is sourced from PubChem (CID 156816097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).