2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile

C20H26N2 — CID 147803717

IUPAC2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CC(CCC3CC3c3ccccc3)C2)CCC1
InChIInChI=1S/C20H26N2/c21-12-11-20(9-4-10-20)22-14-16(15-22)7-8-18-13-19(18)17-5-2-1-3-6-17/h1-3,5-6,16,18-19H,4,7-11,13-15H2
InChIKeyHLZZFPAXFODQMB-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.34
Rot. Bonds6

About 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile

2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile (PubChem CID 147803717) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile
PubChem CID147803717
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CC(CCC3CC3c3ccccc3)C2)CCC1
InChIInChI=1S/C20H26N2/c21-12-11-20(9-4-10-20)22-14-16(15-22)7-8-18-13-19(18)17-5-2-1-3-6-17/h1-3,5-6,16,18-19H,4,7-11,13-15H2
InChIKeyHLZZFPAXFODQMB-UHFFFAOYSA-N
XLogP4.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-acetyl-4-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
CID 147032843
2-[1-[4-[(2-phenylcyclopropyl)methyl]piperidin-1-yl]cyclobutyl]acetonitrile
CID 157415161
2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 147696699
2-[1-(benzenesulfonyl)-4-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]piperidin-4-yl]acetonitrile
CID 118292422
4-(cyanomethyl)-N,N-dimethyl-4-[2-(2-phenylcyclopropyl)ethyl]piperidine-1-carboxamide
CID 158367055
4,4-dimethyl-1-(2-phenylcyclopropyl)pentan-3-amine
CID 116518274
N-methyl-2-[1-[4-methyl-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetamide
CID 147281446
2-[1-(morpholine-4-carbonyl)-3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 149075238
2-[1-[4-(methoxymethyl)-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 153098360
1-cyclopropyl-3-(2-phenylcyclopropyl)propan-1-amine
CID 116518273
2-[3-[4-[[(1R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]-1-(2-pyridin-2-ylacetyl)azetidin-3-yl]acetonitrile
CID 148642409
2-[3-[4-[(2-phenylcyclopropyl)amino]piperidin-1-yl]azetidin-3-yl]acetonitrile
CID 118292326

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile (CID 147803717) is 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile is N#CCC1(N2CC(CCC3CC3c3ccccc3)C2)CCC1.
What is the InChIKey of 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile?
The InChIKey is HLZZFPAXFODQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c21-12-11-20(9-4-10-20)22-14-16(15-22)7-8-18-13-19(18)17-5-2-1-3-6-17/h1-3,5-6,16,18-19H,4,7-11,13-15H2.
What are the key properties of 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile?
2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile has a molecular weight of 294.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[2-(2-phenylcyclopropyl)ethyl]azetidin-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 147803717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).