N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

C17H28N4 — CID 62833493

IUPACN'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCN(c1ncnc2c1CCC2)C1CCCCCC1
InChIInChI=1S/C17H28N4/c18-11-6-12-21(14-7-3-1-2-4-8-14)17-15-9-5-10-16(15)19-13-20-17/h13-14H,1-12,18H2
InChIKeyDFMOMQLILXVMMP-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.84
Rot. Bonds5

About N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine

N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 62833493) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID62833493
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
SMILESNCCCN(c1ncnc2c1CCC2)C1CCCCCC1
InChIInChI=1S/C17H28N4/c18-11-6-12-21(14-7-3-1-2-4-8-14)17-15-9-5-10-16(15)19-13-20-17/h13-14H,1-12,18H2
InChIKeyDFMOMQLILXVMMP-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-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 N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine (CID 62833493) is N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is NCCCN(c1ncnc2c1CCC2)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is DFMOMQLILXVMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c18-11-6-12-21(14-7-3-1-2-4-8-14)17-15-9-5-10-16(15)19-13-20-17/h13-14H,1-12,18H2.
What are the key properties of N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine?
N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 288.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62833493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).