3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile

C13H15N3 — CID 144653753

IUPAC3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile
SMILESCC1(C)CC=CC=C2N=CC(N)=C(C#N)C21
InChIInChI=1S/C13H15N3/c1-13(2)6-4-3-5-11-12(13)9(7-14)10(15)8-16-11/h3-5,8,12H,6,15H2,1-2H3
InChIKeyGXADXFQLMCXBBV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.29
Rot. Bonds

About 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile

3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile (PubChem CID 144653753) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile
PubChem CID144653753
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile
SMILESCC1(C)CC=CC=C2N=CC(N)=C(C#N)C21
InChIInChI=1S/C13H15N3/c1-13(2)6-4-3-5-11-12(13)9(7-14)10(15)8-16-11/h3-5,8,12H,6,15H2,1-2H3
InChIKeyGXADXFQLMCXBBV-UHFFFAOYSA-N
XLogP2.29
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile (CID 144653753) is 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile is CC1(C)CC=CC=C2N=CC(N)=C(C#N)C21.
What is the InChIKey of 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile?
The InChIKey is GXADXFQLMCXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-13(2)6-4-3-5-11-12(13)9(7-14)10(15)8-16-11/h3-5,8,12H,6,15H2,1-2H3.
What are the key properties of 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile?
3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-4a,6-dihydrocyclohepta[b]pyridine-4-carbonitrile is sourced from PubChem (CID 144653753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).