(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane

C11H20N2 — CID 167273419

IUPAC(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCC(C)N1CC2C3CC[C@H](N3)C2C1
InChIInChI=1S/C11H20N2/c1-7(2)13-5-8-9(6-13)11-4-3-10(8)12-11/h7-12H,3-6H2,1-2H3/t8?,9?,10-,11?/m0/s1
InChIKeyCGVJBNRBZSWCNQ-MWJCJQSMSA-N
MW180.29 g/mol
LogP1.08
Rot. Bonds1

About (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane

(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 167273419) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID167273419
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCC(C)N1CC2C3CC[C@H](N3)C2C1
InChIInChI=1S/C11H20N2/c1-7(2)13-5-8-9(6-13)11-4-3-10(8)12-11/h7-12H,3-6H2,1-2H3/t8?,9?,10-,11?/m0/s1
InChIKeyCGVJBNRBZSWCNQ-MWJCJQSMSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane (CID 167273419) is (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane is CC(C)N1CC2C3CC[C@H](N3)C2C1.
What is the InChIKey of (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is CGVJBNRBZSWCNQ-MWJCJQSMSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)13-5-8-9(6-13)11-4-3-10(8)12-11/h7-12H,3-6H2,1-2H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane?
(7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 180.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-propan-2-yl-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 167273419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).