4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine

C12H18N2 — CID 166991979

IUPAC4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine
SMILESCC1=C2C=CCC(C)CC2NC(N)=C1
InChIInChI=1S/C12H18N2/c1-8-4-3-5-10-9(2)7-12(13)14-11(10)6-8/h3,5,7-8,11,14H,4,6,13H2,1-2H3
InChIKeyUGKKWFZFKJZIGI-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.06
Rot. Bonds

About 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine

4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine (PubChem CID 166991979) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine.

Molecular Properties

Compound Name4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine
PubChem CID166991979
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine
SMILESCC1=C2C=CCC(C)CC2NC(N)=C1
InChIInChI=1S/C12H18N2/c1-8-4-3-5-10-9(2)7-12(13)14-11(10)6-8/h3,5,7-8,11,14H,4,6,13H2,1-2H3
InChIKeyUGKKWFZFKJZIGI-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine?
The IUPAC name of 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine (CID 166991979) is 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine.
What is the SMILES notation for 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine?
The canonical SMILES for 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine is CC1=C2C=CCC(C)CC2NC(N)=C1.
What is the InChIKey of 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine?
The InChIKey is UGKKWFZFKJZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-4-3-5-10-9(2)7-12(13)14-11(10)6-8/h3,5,7-8,11,14H,4,6,13H2,1-2H3.
What are the key properties of 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine?
4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine is sourced from PubChem (CID 166991979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).