3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

C13H21N3 — CID 60996212

IUPAC3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CCC1CC(C#N)(NCC1CC1)C2
InChIInChI=1S/C13H21N3/c1-16-11-4-5-12(16)7-13(6-11,9-14)15-8-10-2-3-10/h10-12,15H,2-8H2,1H3
InChIKeyWSXGNTKDKFPPOM-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.50
Rot. Bonds3

About 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (PubChem CID 60996212) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
PubChem CID60996212
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
SMILESCN1C2CCC1CC(C#N)(NCC1CC1)C2
InChIInChI=1S/C13H21N3/c1-16-11-4-5-12(16)7-13(6-11,9-14)15-8-10-2-3-10/h10-12,15H,2-8H2,1H3
InChIKeyWSXGNTKDKFPPOM-UHFFFAOYSA-N
XLogP1.50
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
3-(cyclopropylmethylamino)-5-methylthiolane-3-carbonitrile
CID 79950235
3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 535477
3-(cyclopropylmethylamino)-1,1-dioxothiane-3-carbonitrile
CID 63922865
tert-butyl 3-cyano-3-(cyclopropylmethylamino)azetidine-1-carboxylate
CID 79308552
3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54887403
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952392
1-(cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54891328
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The IUPAC name of 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile (CID 60996212) is 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile.
What is the SMILES notation for 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The canonical SMILES for 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is CN1C2CCC1CC(C#N)(NCC1CC1)C2.
What is the InChIKey of 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
The InChIKey is WSXGNTKDKFPPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-11-4-5-12(16)7-13(6-11,9-14)15-8-10-2-3-10/h10-12,15H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile?
3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile has a molecular weight of 219.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile is sourced from PubChem (CID 60996212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).