2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile

C15H20N2 — CID 65496250

IUPAC2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
SMILESCCCc1ccccc1NCC1(CC#N)CC1
InChIInChI=1S/C15H20N2/c1-2-5-13-6-3-4-7-14(13)17-12-15(8-9-15)10-11-16/h3-4,6-7,17H,2,5,8-10,12H2,1H3
InChIKeyONQAPMWZYZULSG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.74
Rot. Bonds6

About 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile

2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile (PubChem CID 65496250) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
PubChem CID65496250
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile
SMILESCCCc1ccccc1NCC1(CC#N)CC1
InChIInChI=1S/C15H20N2/c1-2-5-13-6-3-4-7-14(13)17-12-15(8-9-15)10-11-16/h3-4,6-7,17H,2,5,8-10,12H2,1H3
InChIKeyONQAPMWZYZULSG-UHFFFAOYSA-N
XLogP3.74
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile (CID 65496250) is 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile is CCCc1ccccc1NCC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile?
The InChIKey is ONQAPMWZYZULSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-5-13-6-3-4-7-14(13)17-12-15(8-9-15)10-11-16/h3-4,6-7,17H,2,5,8-10,12H2,1H3.
What are the key properties of 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile?
2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile has a molecular weight of 228.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-propylanilino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).