1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile

C11H19N3 — CID 167501163

IUPAC1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
SMILESCC(C)N1CCC(NC2(C#N)CC2)C1
InChIInChI=1S/C11H19N3/c1-9(2)14-6-3-10(7-14)13-11(8-12)4-5-11/h9-10,13H,3-7H2,1-2H3
InChIKeyADYSWVIAKXUWRZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.11
Rot. Bonds3

About 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile

1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile (PubChem CID 167501163) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
PubChem CID167501163
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
SMILESCC(C)N1CCC(NC2(C#N)CC2)C1
InChIInChI=1S/C11H19N3/c1-9(2)14-6-3-10(7-14)13-11(8-12)4-5-11/h9-10,13H,3-7H2,1-2H3
InChIKeyADYSWVIAKXUWRZ-UHFFFAOYSA-N
XLogP1.11
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
ethane;1-[(1-methylpiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 144962935
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
1-[(1-iodopiperidin-4-yl)amino]cyclopropane-1-carbonitrile
CID 155472384
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
4-(cyclopropylamino)-1-methylpiperidine-4-carbonitrile
CID 28702853
1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile (CID 167501163) is 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile is CC(C)N1CCC(NC2(C#N)CC2)C1.
What is the InChIKey of 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile?
The InChIKey is ADYSWVIAKXUWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)14-6-3-10(7-14)13-11(8-12)4-5-11/h9-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile?
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 167501163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).