9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane

C12H22N2 — CID 121459120

IUPAC9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
SMILESCC(C)N1C2CCC1C1CCC2N1C
InChIInChI=1S/C12H22N2/c1-8(2)14-11-6-7-12(14)10-5-4-9(11)13(10)3/h8-12H,4-7H2,1-3H3
InChIKeySFAOELBQADYXFA-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.70
Rot. Bonds1

About 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane

9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane (PubChem CID 121459120) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane.

Molecular Properties

Compound Name9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
PubChem CID121459120
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
SMILESCC(C)N1C2CCC1C1CCC2N1C
InChIInChI=1S/C12H22N2/c1-8(2)14-11-6-7-12(14)10-5-4-9(11)13(10)3/h8-12H,4-7H2,1-3H3
InChIKeySFAOELBQADYXFA-UHFFFAOYSA-N
XLogP1.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane?
The IUPAC name of 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane (CID 121459120) is 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane.
What is the SMILES notation for 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane?
The canonical SMILES for 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane is CC(C)N1C2CCC1C1CCC2N1C.
What is the InChIKey of 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane?
The InChIKey is SFAOELBQADYXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)14-11-6-7-12(14)10-5-4-9(11)13(10)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane?
9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane has a molecular weight of 194.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane is sourced from PubChem (CID 121459120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).