2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

C19H30N2 — CID 90757817

IUPAC2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC(CC(C)(C)N1CC2CC1CN2C)c1ccccc1
InChIInChI=1S/C19H30N2/c1-5-15(16-9-7-6-8-10-16)12-19(2,3)21-14-17-11-18(21)13-20(17)4/h6-10,15,17-18H,5,11-14H2,1-4H3
InChIKeyLNCPQYYIEVFGQT-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.74
Rot. Bonds5

About 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 90757817) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID90757817
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCCC(CC(C)(C)N1CC2CC1CN2C)c1ccccc1
InChIInChI=1S/C19H30N2/c1-5-15(16-9-7-6-8-10-16)12-19(2,3)21-14-17-11-18(21)13-20(17)4/h6-10,15,17-18H,5,11-14H2,1-4H3
InChIKeyLNCPQYYIEVFGQT-UHFFFAOYSA-N
XLogP3.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 90757817) is 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is CCC(CC(C)(C)N1CC2CC1CN2C)c1ccccc1.
What is the InChIKey of 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is LNCPQYYIEVFGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-15(16-9-7-6-8-10-16)12-19(2,3)21-14-17-11-18(21)13-20(17)4/h6-10,15,17-18H,5,11-14H2,1-4H3.
What are the key properties of 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 286.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-4-phenylhexan-2-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 90757817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).