2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile

C13H21N3 — CID 129269333

IUPAC2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
SMILESCN1CC2CCC(C1)N2CC1(CC#N)CC1
InChIInChI=1S/C13H21N3/c1-15-8-11-2-3-12(9-15)16(11)10-13(4-5-13)6-7-14/h11-12H,2-6,8-10H2,1H3
InChIKeyOAUKDNCLMOWQCE-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 129269333) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
PubChem CID129269333
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
SMILESCN1CC2CCC(C1)N2CC1(CC#N)CC1
InChIInChI=1S/C13H21N3/c1-15-8-11-2-3-12(9-15)16(11)10-13(4-5-13)6-7-14/h11-12H,2-6,8-10H2,1H3
InChIKeyOAUKDNCLMOWQCE-UHFFFAOYSA-N
XLogP1.46
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile (CID 129269333) is 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile is CN1CC2CCC(C1)N2CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is OAUKDNCLMOWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-15-8-11-2-3-12(9-15)16(11)10-13(4-5-13)6-7-14/h11-12H,2-6,8-10H2,1H3.
What are the key properties of 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 219.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 129269333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).