N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine

C18H30N4 — CID 117211607

IUPACN'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(C2CCCCC2)nc1C1CCCC1
InChIInChI=1S/C18H30N4/c19-11-6-12-20-16-13-21-18(15-9-2-1-3-10-15)22-17(16)14-7-4-5-8-14/h13-15,20H,1-12,19H2
InChIKeyNISDZFHMANLITR-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.94
Rot. Bonds6

About N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine

N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine (PubChem CID 117211607) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
PubChem CID117211607
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC NameN'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(C2CCCCC2)nc1C1CCCC1
InChIInChI=1S/C18H30N4/c19-11-6-12-20-16-13-21-18(15-9-2-1-3-10-15)22-17(16)14-7-4-5-8-14/h13-15,20H,1-12,19H2
InChIKeyNISDZFHMANLITR-UHFFFAOYSA-N
XLogP3.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine (CID 117211607) is N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine is NCCCNc1cnc(C2CCCCC2)nc1C1CCCC1.
What is the InChIKey of N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine?
The InChIKey is NISDZFHMANLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4/c19-11-6-12-20-16-13-21-18(15-9-2-1-3-10-15)22-17(16)14-7-4-5-8-14/h13-15,20H,1-12,19H2.
What are the key properties of N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine?
N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine has a molecular weight of 302.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexyl-4-cyclopentylpyrimidin-5-yl)propane-1,3-diamine is sourced from PubChem (CID 117211607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).