N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine

C18H20N2 — CID 90937480

IUPACN-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
SMILESCC=CC1=C(N(C)C2CC2)CC=C=c2cccc/c2=N/1
InChIInChI=1S/C18H20N2/c1-3-7-17-18(20(2)15-12-13-15)11-6-9-14-8-4-5-10-16(14)19-17/h3-8,10,15H,11-13H2,1-2H3/b7-3?,18-17?,19-16-
InChIKeyCUTGIPRFEXMMKE-XBOJNJHZSA-N
MW264.37 g/mol
LogP2.53
Rot. Bonds3

About N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine

N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine (PubChem CID 90937480) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
PubChem CID90937480
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine
SMILESCC=CC1=C(N(C)C2CC2)CC=C=c2cccc/c2=N/1
InChIInChI=1S/C18H20N2/c1-3-7-17-18(20(2)15-12-13-15)11-6-9-14-8-4-5-10-16(14)19-17/h3-8,10,15H,11-13H2,1-2H3/b7-3?,18-17?,19-16-
InChIKeyCUTGIPRFEXMMKE-XBOJNJHZSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine?
The IUPAC name of N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine (CID 90937480) is N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine.
What is the SMILES notation for N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine?
The canonical SMILES for N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine is CC=CC1=C(N(C)C2CC2)CC=C=c2cccc/c2=N/1.
What is the InChIKey of N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine?
The InChIKey is CUTGIPRFEXMMKE-XBOJNJHZSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-7-17-18(20(2)15-12-13-15)11-6-9-14-8-4-5-10-16(14)19-17/h3-8,10,15H,11-13H2,1-2H3/b7-3?,18-17?,19-16-.
What are the key properties of N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine?
N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine has a molecular weight of 264.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-3-prop-1-enyl-2-azabicyclo[6.4.0]dodeca-1,3,6,7,9,11-hexaen-4-amine is sourced from PubChem (CID 90937480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).