4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile

C12H21N3 — CID 60977265

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
SMILESN#CCCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c13-6-1-2-7-14-9-11-5-8-15(10-11)12-3-4-12/h11-12,14H,1-5,7-10H2
InChIKeyKPAZZFSDOFKYJC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.36
Rot. Bonds6

About 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile

4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile (PubChem CID 60977265) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
PubChem CID60977265
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
SMILESN#CCCCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c13-6-1-2-7-14-9-11-5-8-15(10-11)12-3-4-12/h11-12,14H,1-5,7-10H2
InChIKeyKPAZZFSDOFKYJC-UHFFFAOYSA-N
XLogP1.36
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
CID 62310143
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409411
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063998
1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one
CID 54881070
tert-butyl 4-[(3-cyanopropylamino)methyl]piperidine-1-carboxylate
CID 71813990
4-(oxolan-3-ylmethylamino)butanenitrile
CID 61040172

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile (CID 60977265) is 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile is N#CCCCNCC1CCN(C2CC2)C1.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile?
The InChIKey is KPAZZFSDOFKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-6-1-2-7-14-9-11-5-8-15(10-11)12-3-4-12/h11-12,14H,1-5,7-10H2.
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile?
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile has a molecular weight of 207.32 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile is sourced from PubChem (CID 60977265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).