ethane;9-methylpyrido[2,3-b]indole;propane

C19H30N2 — CID 171072564

IUPACethane;9-methylpyrido[2,3-b]indole;propane
SMILESCC.CC.CCC.Cn1c2ccccc2c2cccnc21
InChIInChI=1S/C12H10N2.C3H8.2C2H6/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-3-2;2*1-2/h2-8H,1H3;3H2,1-2H3;2*1-2H3
InChIKeyNVMGOEHWHOHONP-UHFFFAOYSA-N
MW286.46 g/mol
LogP6.20
Rot. Bonds

About ethane;9-methylpyrido[2,3-b]indole;propane

ethane;9-methylpyrido[2,3-b]indole;propane (PubChem CID 171072564) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;9-methylpyrido[2,3-b]indole;propane.

Molecular Properties

Compound Nameethane;9-methylpyrido[2,3-b]indole;propane
PubChem CID171072564
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Nameethane;9-methylpyrido[2,3-b]indole;propane
SMILESCC.CC.CCC.Cn1c2ccccc2c2cccnc21
InChIInChI=1S/C12H10N2.C3H8.2C2H6/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-3-2;2*1-2/h2-8H,1H3;3H2,1-2H3;2*1-2H3
InChIKeyNVMGOEHWHOHONP-UHFFFAOYSA-N
XLogP6.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;9-methylpyrido[2,3-b]indole;propane?
The IUPAC name of ethane;9-methylpyrido[2,3-b]indole;propane (CID 171072564) is ethane;9-methylpyrido[2,3-b]indole;propane.
What is the SMILES notation for ethane;9-methylpyrido[2,3-b]indole;propane?
The canonical SMILES for ethane;9-methylpyrido[2,3-b]indole;propane is CC.CC.CCC.Cn1c2ccccc2c2cccnc21.
What is the InChIKey of ethane;9-methylpyrido[2,3-b]indole;propane?
The InChIKey is NVMGOEHWHOHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2.C3H8.2C2H6/c1-14-11-7-3-2-5-9(11)10-6-4-8-13-12(10)14;1-3-2;2*1-2/h2-8H,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;9-methylpyrido[2,3-b]indole;propane?
ethane;9-methylpyrido[2,3-b]indole;propane has a molecular weight of 286.46 g/mol, XLogP of 6.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylpyrido[2,3-b]indole;propane is sourced from PubChem (CID 171072564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).