9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane

C17H34N2 — CID 10825682

IUPAC9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCC1(C)C2CN(C(C)C)CC1CN(C(C)C)C2
InChIInChI=1S/C17H34N2/c1-7-8-17(6)15-9-18(13(2)3)10-16(17)12-19(11-15)14(4)5/h13-16H,7-12H2,1-6H3
InChIKeySYDDTTBSJJOENW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.47
Rot. Bonds4

About 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane

9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 10825682) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID10825682
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCC1(C)C2CN(C(C)C)CC1CN(C(C)C)C2
InChIInChI=1S/C17H34N2/c1-7-8-17(6)15-9-18(13(2)3)10-16(17)12-19(11-15)14(4)5/h13-16H,7-12H2,1-6H3
InChIKeySYDDTTBSJJOENW-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane (CID 10825682) is 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane is CCCC1(C)C2CN(C(C)C)CC1CN(C(C)C)C2.
What is the InChIKey of 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is SYDDTTBSJJOENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-7-8-17(6)15-9-18(13(2)3)10-16(17)12-19(11-15)14(4)5/h13-16H,7-12H2,1-6H3.
What are the key properties of 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane?
9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 266.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,7-di(propan-2-yl)-9-propyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 10825682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).