N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine

C15H16N2 — CID 91390701

IUPACN,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
SMILESCC=CC1=C(N(C)C)C=C=c2ccccc2=N1
InChIInChI=1S/C15H16N2/c1-4-7-14-15(17(2)3)11-10-12-8-5-6-9-13(12)16-14/h4-9,11H,1-3H3
InChIKeySRXCKZCXOIRZMZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.60
Rot. Bonds2

About N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine

N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine (PubChem CID 91390701) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
PubChem CID91390701
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine
SMILESCC=CC1=C(N(C)C)C=C=c2ccccc2=N1
InChIInChI=1S/C15H16N2/c1-4-7-14-15(17(2)3)11-10-12-8-5-6-9-13(12)16-14/h4-9,11H,1-3H3
InChIKeySRXCKZCXOIRZMZ-UHFFFAOYSA-N
XLogP1.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine?
The IUPAC name of N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine (CID 91390701) is N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine.
What is the SMILES notation for N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine?
The canonical SMILES for N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine is CC=CC1=C(N(C)C)C=C=c2ccccc2=N1.
What is the InChIKey of N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine?
The InChIKey is SRXCKZCXOIRZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-4-7-14-15(17(2)3)11-10-12-8-5-6-9-13(12)16-14/h4-9,11H,1-3H3.
What are the key properties of N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine?
N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine has a molecular weight of 224.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-prop-1-enyl-2-azabicyclo[5.4.0]undeca-1,3,5,6,8,10-hexaen-4-amine is sourced from PubChem (CID 91390701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).