2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile

C13H17N3 — CID 65480567

IUPAC2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(NCC1(CC#N)CC1)c1ccncc1
InChIInChI=1S/C13H17N3/c1-11(12-2-8-15-9-3-12)16-10-13(4-5-13)6-7-14/h2-3,8-9,11,16H,4-6,10H2,1H3
InChIKeyTZAASIVATXHMDP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile

2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65480567) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65480567
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile
SMILESCC(NCC1(CC#N)CC1)c1ccncc1
InChIInChI=1S/C13H17N3/c1-11(12-2-8-15-9-3-12)16-10-13(4-5-13)6-7-14/h2-3,8-9,11,16H,4-6,10H2,1H3
InChIKeyTZAASIVATXHMDP-UHFFFAOYSA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81353637
2-[1-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81365372
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
N-[(1-methylcyclopentyl)methyl]-1-pyridin-4-ylethanamine
CID 63820570
2-[1-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81382987
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
2-[4-[1-[(1-ethylcyclopropyl)methylamino]ethyl]phenoxy]acetonitrile
CID 103921936
2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
CID 64536611
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825
2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65495404
2-[1-[(2-phenylpropylamino)methyl]cyclopropyl]acetonitrile
CID 113430210

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile (CID 65480567) is 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile is CC(NCC1(CC#N)CC1)c1ccncc1.
What is the InChIKey of 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is TZAASIVATXHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(12-2-8-15-9-3-12)16-10-13(4-5-13)6-7-14/h2-3,8-9,11,16H,4-6,10H2,1H3.
What are the key properties of 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-pyridin-4-ylethylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).