(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C10H18N2 — CID 90179046

IUPAC(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2CC1CC1
InChIInChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyPLHLCDVPPYKWQI-UWVGGRQHSA-N
MW166.27 g/mol
LogP0.78
Rot. Bonds2

About (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 90179046) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID90179046
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CN2CC1CC1
InChIInChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3/t9-,10-/m0/s1
InChIKeyPLHLCDVPPYKWQI-UWVGGRQHSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 90179046) is (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CN2CC1CC1.
What is the InChIKey of (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is PLHLCDVPPYKWQI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 166.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 90179046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).