(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

C10H20N2 — CID 58591717

IUPAC(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2C[C@H]1CN2C
InChIInChI=1S/C10H20N2/c1-8(2)5-12-7-9-4-10(12)6-11(9)3/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyBARVAWGQRRRPNE-AXDSSHIGSA-N
MW168.28 g/mol
LogP1.03
Rot. Bonds2

About (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane

(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 58591717) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID58591717
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CN1CC2C[C@H]1CN2C
InChIInChI=1S/C10H20N2/c1-8(2)5-12-7-9-4-10(12)6-11(9)3/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyBARVAWGQRRRPNE-AXDSSHIGSA-N
XLogP1.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane (CID 58591717) is (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)CN1CC2C[C@H]1CN2C.
What is the InChIKey of (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is BARVAWGQRRRPNE-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)5-12-7-9-4-10(12)6-11(9)3/h8-10H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
(4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 58591717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).