1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one

C12H23N3O — CID 115371177

IUPAC1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
SMILESCN(CCN1CCCNC1=O)C1CCCC1
InChIInChI=1S/C12H23N3O/c1-14(11-5-2-3-6-11)9-10-15-8-4-7-13-12(15)16/h11H,2-10H2,1H3,(H,13,16)
InChIKeyJGRJSFVPNNDKRD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.28
Rot. Bonds4

About 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one

1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one (PubChem CID 115371177) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
PubChem CID115371177
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one
SMILESCN(CCN1CCCNC1=O)C1CCCC1
InChIInChI=1S/C12H23N3O/c1-14(11-5-2-3-6-11)9-10-15-8-4-7-13-12(15)16/h11H,2-10H2,1H3,(H,13,16)
InChIKeyJGRJSFVPNNDKRD-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one (CID 115371177) is 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one is CN(CCN1CCCNC1=O)C1CCCC1.
What is the InChIKey of 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one?
The InChIKey is JGRJSFVPNNDKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14(11-5-2-3-6-11)9-10-15-8-4-7-13-12(15)16/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one?
1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 115371177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).