N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine

C12H17N3 — CID 142230302

IUPACN,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1=NC2CCC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C12H17N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-5,7,11H,6,8H2,1-3H3
InChIKeyIXBLTKFHNMGADI-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.02
Rot. Bonds

About N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine

N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 142230302) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
PubChem CID142230302
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine
SMILESCC1=NC2CCC=CC=C2C(N(C)C)=N1
InChIInChI=1S/C12H17N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-5,7,11H,6,8H2,1-3H3
InChIKeyIXBLTKFHNMGADI-UHFFFAOYSA-N
XLogP2.02
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine (CID 142230302) is N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine is CC1=NC2CCC=CC=C2C(N(C)C)=N1.
What is the InChIKey of N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is IXBLTKFHNMGADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-13-11-8-6-4-5-7-10(11)12(14-9)15(2)3/h4-5,7,11H,6,8H2,1-3H3.
What are the key properties of N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine?
N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-9,9a-dihydro-8H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142230302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).