2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine

C13H22N4 — CID 107384968

IUPAC2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
SMILESCCN(CC)c1ncc2c(n1)CCCCC2N
InChIInChI=1S/C13H22N4/c1-3-17(4-2)13-15-9-10-11(14)7-5-6-8-12(10)16-13/h9,11H,3-8,14H2,1-2H3
InChIKeyICVBQYHKYRNQQS-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.05
Rot. Bonds3

About 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine

2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine (PubChem CID 107384968) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
PubChem CID107384968
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
SMILESCCN(CC)c1ncc2c(n1)CCCCC2N
InChIInChI=1S/C13H22N4/c1-3-17(4-2)13-15-9-10-11(14)7-5-6-8-12(10)16-13/h9,11H,3-8,14H2,1-2H3
InChIKeyICVBQYHKYRNQQS-UHFFFAOYSA-N
XLogP2.05
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine (CID 107384968) is 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine is CCN(CC)c1ncc2c(n1)CCCCC2N.
What is the InChIKey of 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine?
The InChIKey is ICVBQYHKYRNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17(4-2)13-15-9-10-11(14)7-5-6-8-12(10)16-13/h9,11H,3-8,14H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine?
2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine is sourced from PubChem (CID 107384968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).