ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine

C15H22N2 — CID 143881464

IUPACethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine
SMILESCC.Cc1cc(N)nc2c1C=CC(C)(C)C=C2
InChIInChI=1S/C13H16N2.C2H6/c1-9-8-12(14)15-11-5-7-13(2,3)6-4-10(9)11;1-2/h4-8H,1-3H3,(H2,14,15);1-2H3
InChIKeyJLSPFSIDSUDRBX-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.06
Rot. Bonds

About ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine

ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine (PubChem CID 143881464) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine.

Molecular Properties

Compound Nameethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine
PubChem CID143881464
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Nameethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine
SMILESCC.Cc1cc(N)nc2c1C=CC(C)(C)C=C2
InChIInChI=1S/C13H16N2.C2H6/c1-9-8-12(14)15-11-5-7-13(2,3)6-4-10(9)11;1-2/h4-8H,1-3H3,(H2,14,15);1-2H3
InChIKeyJLSPFSIDSUDRBX-UHFFFAOYSA-N
XLogP4.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine?
The IUPAC name of ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine (CID 143881464) is ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine.
What is the SMILES notation for ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine?
The canonical SMILES for ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine is CC.Cc1cc(N)nc2c1C=CC(C)(C)C=C2.
What is the InChIKey of ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine?
The InChIKey is JLSPFSIDSUDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-9-8-12(14)15-11-5-7-13(2,3)6-4-10(9)11;1-2/h4-8H,1-3H3,(H2,14,15);1-2H3.
What are the key properties of ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine?
ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine has a molecular weight of 230.35 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,7,7-trimethylcyclohepta[b]pyridin-2-amine is sourced from PubChem (CID 143881464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).