(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane

C12H24N2 — CID 58348946

IUPAC(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+
InChIKeyDWCUVAZHWDAUPG-TXEJJXNPSA-N
MW196.34 g/mol
LogP1.95
Rot. Bonds2

About (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane

(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 58348946) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID58348946
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C
InChIInChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+
InChIKeyDWCUVAZHWDAUPG-TXEJJXNPSA-N
XLogP1.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane (CID 58348946) is (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane is CC(C)N1C[C@H]2CC[C@@H](C1)N2C(C)C.
What is the InChIKey of (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is DWCUVAZHWDAUPG-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)13-7-11-5-6-12(8-13)14(11)10(3)4/h9-12H,5-8H2,1-4H3/t11-,12+.
What are the key properties of (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane?
(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 196.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 58348946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).