(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine

C12H14N2 — CID 142584512

IUPAC(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine
SMILESCC1=C[C@H](C)C=c2cnc(N)cc2=C1
InChIInChI=1S/C12H14N2/c1-8-3-9(2)5-11-7-14-12(13)6-10(11)4-8/h3-7,9H,13H2,1-2H3/t9-/m0/s1
InChIKeySCPZYUABCLHQBB-VIFPVBQESA-N
MW186.26 g/mol
LogP0.82
Rot. Bonds

About (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine

(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine (PubChem CID 142584512) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine.

Molecular Properties

Compound Name(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine
PubChem CID142584512
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine
SMILESCC1=C[C@H](C)C=c2cnc(N)cc2=C1
InChIInChI=1S/C12H14N2/c1-8-3-9(2)5-11-7-14-12(13)6-10(11)4-8/h3-7,9H,13H2,1-2H3/t9-/m0/s1
InChIKeySCPZYUABCLHQBB-VIFPVBQESA-N
XLogP0.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine?
The IUPAC name of (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine (CID 142584512) is (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine.
What is the SMILES notation for (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine?
The canonical SMILES for (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine is CC1=C[C@H](C)C=c2cnc(N)cc2=C1.
What is the InChIKey of (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine?
The InChIKey is SCPZYUABCLHQBB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2/c1-8-3-9(2)5-11-7-14-12(13)6-10(11)4-8/h3-7,9H,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine?
(8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine has a molecular weight of 186.26 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6,8-dimethyl-8H-cyclohepta[c]pyridin-3-amine is sourced from PubChem (CID 142584512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).