1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

C10H20N2 — CID 59679288

IUPAC1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2(C)CC1(C)CN2
InChIInChI=1S/C10H20N2/c1-8(2)12-7-9(3)5-10(12,4)6-11-9/h8,11H,5-7H2,1-4H3
InChIKeyMBIJZYPJKWBSIT-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.22
Rot. Bonds1

About 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane

1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 59679288) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID59679288
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2(C)CC1(C)CN2
InChIInChI=1S/C10H20N2/c1-8(2)12-7-9(3)5-10(12,4)6-11-9/h8,11H,5-7H2,1-4H3
InChIKeyMBIJZYPJKWBSIT-UHFFFAOYSA-N
XLogP1.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane (CID 59679288) is 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is CC(C)N1CC2(C)CC1(C)CN2.
What is the InChIKey of 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is MBIJZYPJKWBSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)12-7-9(3)5-10(12,4)6-11-9/h8,11H,5-7H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane?
1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 59679288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).