N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen

C9H19N — CID 163239204

IUPACN-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
SMILESCCNCC1CC2CCC21.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-10-6-8-5-7-3-4-9(7)8;/h7-10H,2-6H2,1H3;1H
InChIKeyXBIRAYURCNBISL-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.89
Rot. Bonds3

About N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen

N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen (PubChem CID 163239204) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
PubChem CID163239204
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen
SMILESCCNCC1CC2CCC21.[H][H]
InChIInChI=1S/C9H17N.H2/c1-2-10-6-8-5-7-3-4-9(7)8;/h7-10H,2-6H2,1H3;1H
InChIKeyXBIRAYURCNBISL-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen?
The IUPAC name of N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen (CID 163239204) is N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen.
What is the SMILES notation for N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen?
The canonical SMILES for N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen is CCNCC1CC2CCC21.[H][H].
What is the InChIKey of N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen?
The InChIKey is XBIRAYURCNBISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.H2/c1-2-10-6-8-5-7-3-4-9(7)8;/h7-10H,2-6H2,1H3;1H.
What are the key properties of N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen?
N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen has a molecular weight of 141.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.0]hexanylmethyl)ethanamine;molecular hydrogen is sourced from PubChem (CID 163239204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).