1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

C16H26N4 — CID 106738090

IUPAC1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncnc2c1CCCCC2)C1CCCC1
InChIInChI=1S/C16H26N4/c17-10-15(12-6-4-5-7-12)20-16-13-8-2-1-3-9-14(13)18-11-19-16/h11-12,15H,1-10,17H2,(H,18,19,20)
InChIKeyZEJKPIGSPGYBGC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine

1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 106738090) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID106738090
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESNCC(Nc1ncnc2c1CCCCC2)C1CCCC1
InChIInChI=1S/C16H26N4/c17-10-15(12-6-4-5-7-12)20-16-13-8-2-1-3-9-14(13)18-11-19-16/h11-12,15H,1-10,17H2,(H,18,19,20)
InChIKeyZEJKPIGSPGYBGC-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine (CID 106738090) is 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine is NCC(Nc1ncnc2c1CCCCC2)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is ZEJKPIGSPGYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c17-10-15(12-6-4-5-7-12)20-16-13-8-2-1-3-9-14(13)18-11-19-16/h11-12,15H,1-10,17H2,(H,18,19,20).
What are the key properties of 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine?
1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 106738090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).