N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine

C13H17N3 — CID 142229587

IUPACN-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCCN(C)c1nc(C)nc2c1=CCC=CC=2
InChIInChI=1S/C13H17N3/c1-4-16(3)13-11-8-6-5-7-9-12(11)14-10(2)15-13/h5,7-9H,4,6H2,1-3H3
InChIKeyGOZMEBJJYOFAKK-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.76
Rot. Bonds2

About N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine

N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 142229587) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
PubChem CID142229587
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine
SMILESCCN(C)c1nc(C)nc2c1=CCC=CC=2
InChIInChI=1S/C13H17N3/c1-4-16(3)13-11-8-6-5-7-9-12(11)14-10(2)15-13/h5,7-9H,4,6H2,1-3H3
InChIKeyGOZMEBJJYOFAKK-UHFFFAOYSA-N
XLogP0.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-6-methyl-3H-azepin-2-amine
CID 12218529
N,N-diethyl-5-methyl-3H-azepin-2-amine
CID 12218538
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
N,N-diethyl-3,5-dimethyl-3H-azepin-2-amine
CID 85790494
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
2,3-Dimethyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 54479691
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
9-ethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 89691873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine (CID 142229587) is N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine is CCN(C)c1nc(C)nc2c1=CCC=CC=2.
What is the InChIKey of N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is GOZMEBJJYOFAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-16(3)13-11-8-6-5-7-9-12(11)14-10(2)15-13/h5,7-9H,4,6H2,1-3H3.
What are the key properties of N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine?
N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-6H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 142229587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).