(1-methyldiazinan-4-yl) carbamate

C6H13N3O2 — CID 175379398

IUPAC(1-methyldiazinan-4-yl) carbamate
SMILESCN1CCC(OC(N)=O)CN1
InChIInChI=1S/C6H13N3O2/c1-9-3-2-5(4-8-9)11-6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyQNZCDNCLOFEFKP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.71
Rot. Bonds1

About (1-methyldiazinan-4-yl) carbamate

(1-methyldiazinan-4-yl) carbamate (PubChem CID 175379398) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (1-methyldiazinan-4-yl) carbamate.

Molecular Properties

Compound Name(1-methyldiazinan-4-yl) carbamate
PubChem CID175379398
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(1-methyldiazinan-4-yl) carbamate
SMILESCN1CCC(OC(N)=O)CN1
InChIInChI=1S/C6H13N3O2/c1-9-3-2-5(4-8-9)11-6(7)10/h5,8H,2-4H2,1H3,(H2,7,10)
InChIKeyQNZCDNCLOFEFKP-UHFFFAOYSA-N
XLogP-0.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyldiazinan-4-yl) carbamate?
The IUPAC name of (1-methyldiazinan-4-yl) carbamate (CID 175379398) is (1-methyldiazinan-4-yl) carbamate.
What is the SMILES notation for (1-methyldiazinan-4-yl) carbamate?
The canonical SMILES for (1-methyldiazinan-4-yl) carbamate is CN1CCC(OC(N)=O)CN1.
What is the InChIKey of (1-methyldiazinan-4-yl) carbamate?
The InChIKey is QNZCDNCLOFEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-9-3-2-5(4-8-9)11-6(7)10/h5,8H,2-4H2,1H3,(H2,7,10).
What are the key properties of (1-methyldiazinan-4-yl) carbamate?
(1-methyldiazinan-4-yl) carbamate has a molecular weight of 159.19 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyldiazinan-4-yl) carbamate is sourced from PubChem (CID 175379398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).