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

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Related Compounds

N'-cyclobutyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 102874680
N-(2-bromoethyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 80668669
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 102675231
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62832603
N-(2-bromoethyl)-N-cyclopropyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80667019
N'-(5-bromopyrimidin-4-yl)-N'-cyclopentylpropane-1,3-diamine
CID 66341181
2-[cyclopropyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetic acid
CID 62832412
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-ethylethane-1,2-diamine
CID 63766436
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cycloheptylpropane-1,3-diamine
CID 79712548
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387

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).