2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C13H21N3O — CID 106815258

IUPAC2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCOCCc1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C13H21N3O/c1-2-17-9-8-12-15-11-7-5-3-4-6-10(11)13(14)16-12/h2-9H2,1H3,(H2,14,15,16)
InChIKeyYWTJMAUSJFBKKM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds4

About 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 106815258) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID106815258
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCCOCCc1nc(N)c2c(n1)CCCCC2
InChIInChI=1S/C13H21N3O/c1-2-17-9-8-12-15-11-7-5-3-4-6-10(11)13(14)16-12/h2-9H2,1H3,(H2,14,15,16)
InChIKeyYWTJMAUSJFBKKM-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103150346
2-[2-(methylamino)ethyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476582
2-(2-methylsulfanylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 164655249
2-(2-aminopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 105476583
3-(4-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propanoic acid
CID 105460225
2-(2-aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 105459542
2-(butan-2-ylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65140979
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103476164
2-[2-(methylamino)propyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 105476585
2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65137814
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydroquinazoline
CID 102927204

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 106815258) is 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CCOCCc1nc(N)c2c(n1)CCCCC2.
What is the InChIKey of 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is YWTJMAUSJFBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-17-9-8-12-15-11-7-5-3-4-6-10(11)13(14)16-12/h2-9H2,1H3,(H2,14,15,16).
What are the key properties of 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 106815258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).