2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile

C13H23N3 — CID 65497327

IUPAC2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCCN2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-7-6-13(4-5-13)12-15-8-3-11-16-9-1-2-10-16/h15H,1-6,8-12H2
InChIKeySMUMOZNBHNUVHM-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.76
Rot. Bonds7

About 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65497327) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65497327
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCCCN2CCCC2)CC1
InChIInChI=1S/C13H23N3/c14-7-6-13(4-5-13)12-15-8-3-11-16-9-1-2-10-16/h15H,1-6,8-12H2
InChIKeySMUMOZNBHNUVHM-UHFFFAOYSA-N
XLogP1.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.76
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

2-[1-[(4-hydroxybutylamino)methyl]cyclopropyl]acetonitrile
CID 106841881
2-[1-[(4-hydroxypentylamino)methyl]cyclopropyl]acetonitrile
CID 106131749
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
4,4-dimethyl-5-(3-pyrrolidin-1-ylpropylamino)pentanenitrile
CID 115651688
methyl 3-[[1-(cyanomethyl)cyclopropyl]methylamino]propanoate
CID 65480365
2-[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopropyl]acetonitrile
CID 65496681
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331
[1-[[2-(azepan-1-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81419818
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
1-[(3-morpholin-4-ylpropylamino)methyl]cyclohexan-1-ol
CID 60899322
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile (CID 65497327) is 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile is N#CCC1(CNCCCN2CCCC2)CC1.
What is the InChIKey of 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is SMUMOZNBHNUVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-7-6-13(4-5-13)12-15-8-3-11-16-9-1-2-10-16/h15H,1-6,8-12H2.
What are the key properties of 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-pyrrolidin-1-ylpropylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).