N-pyrimidin-2-yloxycyclododecanimine

C16H25N3O — CID 151679989

IUPACN-pyrimidin-2-yloxycyclododecanimine
SMILESc1cnc(ON=C2CCCCCCCCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-4-6-8-11-15(12-9-7-5-3-1)19-20-16-17-13-10-14-18-16/h10,13-14H,1-9,11-12H2
InChIKeyRAHXECPBTUOXOV-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.52
Rot. Bonds2

About N-pyrimidin-2-yloxycyclododecanimine

N-pyrimidin-2-yloxycyclododecanimine (PubChem CID 151679989) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-pyrimidin-2-yloxycyclododecanimine.

Molecular Properties

Compound NameN-pyrimidin-2-yloxycyclododecanimine
PubChem CID151679989
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-pyrimidin-2-yloxycyclododecanimine
SMILESc1cnc(ON=C2CCCCCCCCCCC2)nc1
InChIInChI=1S/C16H25N3O/c1-2-4-6-8-11-15(12-9-7-5-3-1)19-20-16-17-13-10-14-18-16/h10,13-14H,1-9,11-12H2
InChIKeyRAHXECPBTUOXOV-UHFFFAOYSA-N
XLogP4.52
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-2-yloxycyclododecanimine?
The IUPAC name of N-pyrimidin-2-yloxycyclododecanimine (CID 151679989) is N-pyrimidin-2-yloxycyclododecanimine.
What is the SMILES notation for N-pyrimidin-2-yloxycyclododecanimine?
The canonical SMILES for N-pyrimidin-2-yloxycyclododecanimine is c1cnc(ON=C2CCCCCCCCCCC2)nc1.
What is the InChIKey of N-pyrimidin-2-yloxycyclododecanimine?
The InChIKey is RAHXECPBTUOXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-4-6-8-11-15(12-9-7-5-3-1)19-20-16-17-13-10-14-18-16/h10,13-14H,1-9,11-12H2.
What are the key properties of N-pyrimidin-2-yloxycyclododecanimine?
N-pyrimidin-2-yloxycyclododecanimine has a molecular weight of 275.40 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-yloxycyclododecanimine is sourced from PubChem (CID 151679989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).