ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C18H31N3 — CID 176678136

IUPACethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC.CC.CCCN(C=C(C)C)c1ccnc2[nH]ccc12
InChIInChI=1S/C14H19N3.2C2H6/c1-4-9-17(10-11(2)3)13-6-8-16-14-12(13)5-7-15-14;2*1-2/h5-8,10H,4,9H2,1-3H3,(H,15,16);2*1-2H3
InChIKeyKOZJPKMYHJKYRC-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.76
Rot. Bonds4

About ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine

ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 176678136) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Nameethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID176678136
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Nameethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC.CC.CCCN(C=C(C)C)c1ccnc2[nH]ccc12
InChIInChI=1S/C14H19N3.2C2H6/c1-4-9-17(10-11(2)3)13-6-8-16-14-12(13)5-7-15-14;2*1-2/h5-8,10H,4,9H2,1-3H3,(H,15,16);2*1-2H3
InChIKeyKOZJPKMYHJKYRC-UHFFFAOYSA-N
XLogP5.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 176678136) is ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CC.CC.CCCN(C=C(C)C)c1ccnc2[nH]ccc12.
What is the InChIKey of ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is KOZJPKMYHJKYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3.2C2H6/c1-4-9-17(10-11(2)3)13-6-8-16-14-12(13)5-7-15-14;2*1-2/h5-8,10H,4,9H2,1-3H3,(H,15,16);2*1-2H3.
What are the key properties of ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-1-enyl)-N-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 176678136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).