(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane

C17H34N2 — CID 129035571

IUPAC(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCCCCC(C)(CCCC)N1C[C@H]2C[C@@H]1CN2C
InChIInChI=1S/C17H34N2/c1-5-7-9-11-17(3,10-8-6-2)19-14-15-12-16(19)13-18(15)4/h15-16H,5-14H2,1-4H3/t15-,16-,17?/m1/s1
InChIKeyMYDFANVJSXFESM-YNPPLXCJSA-N
MW266.47 g/mol
LogP3.90
Rot. Bonds8

About (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 129035571) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID129035571
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCCCCC(C)(CCCC)N1C[C@H]2C[C@@H]1CN2C
InChIInChI=1S/C17H34N2/c1-5-7-9-11-17(3,10-8-6-2)19-14-15-12-16(19)13-18(15)4/h15-16H,5-14H2,1-4H3/t15-,16-,17?/m1/s1
InChIKeyMYDFANVJSXFESM-YNPPLXCJSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 129035571) is (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane is CCCCCC(C)(CCCC)N1C[C@H]2C[C@@H]1CN2C.
What is the InChIKey of (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is MYDFANVJSXFESM-YNPPLXCJSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-7-9-11-17(3,10-8-6-2)19-14-15-12-16(19)13-18(15)4/h15-16H,5-14H2,1-4H3/t15-,16-,17?/m1/s1.
What are the key properties of (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 266.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-5-(5-methyldecan-5-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 129035571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).