4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile

C11H17N3 — CID 105365372

IUPAC4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
SMILESC=CCNC1(C#N)CCN2CCC1C2
InChIInChI=1S/C11H17N3/c1-2-5-13-11(9-12)4-7-14-6-3-10(11)8-14/h2,10,13H,1,3-8H2
InChIKeyHCYWHNFNOSUXIT-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.75
Rot. Bonds3

About 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile

4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile (PubChem CID 105365372) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile.

Molecular Properties

Compound Name4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
PubChem CID105365372
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
SMILESC=CCNC1(C#N)CCN2CCC1C2
InChIInChI=1S/C11H17N3/c1-2-5-13-11(9-12)4-7-14-6-3-10(11)8-14/h2,10,13H,1,3-8H2
InChIKeyHCYWHNFNOSUXIT-UHFFFAOYSA-N
XLogP0.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cycloheptylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile
CID 105365366
3-(prop-2-enylamino)-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 62353267
1-cyclopropyl-3-(prop-2-enylamino)pyrrolidine-3-carbonitrile
CID 62976028
2,4,4-trimethyl-1-(prop-2-enylamino)cyclopentane-1-carbonitrile
CID 106661469
6-methyl-3-(prop-2-enylamino)piperidine-3-carbonitrile
CID 130952070
1-(4-hydroxy-1-azabicyclo[3.2.1]octan-4-yl)cycloheptane-1-carbonitrile
CID 105366259
4-(aminomethyl)-N-(2-methylprop-2-enyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365307
[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
CID 105366063
4-(aminomethyl)-N-but-3-ynyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105365300
4-(trifluoromethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105366105
3-propan-2-yl-1-(prop-2-enylamino)cyclobutane-1-carbonitrile
CID 103563357
1-(aminomethyl)-N-prop-2-enyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853328

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The IUPAC name of 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile (CID 105365372) is 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile.
What is the SMILES notation for 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The canonical SMILES for 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile is C=CCNC1(C#N)CCN2CCC1C2.
What is the InChIKey of 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
The InChIKey is HCYWHNFNOSUXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-5-13-11(9-12)4-7-14-6-3-10(11)8-14/h2,10,13H,1,3-8H2.
What are the key properties of 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile?
4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)-1-azabicyclo[3.2.1]octane-4-carbonitrile is sourced from PubChem (CID 105365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).