2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile

C13H18N2S — CID 65495404

IUPAC2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(NCC1(CC#N)CC1)c1cccs1
InChIInChI=1S/C13H18N2S/c1-2-11(12-4-3-9-16-12)15-10-13(5-6-13)7-8-14/h3-4,9,11,15H,2,5-7,10H2,1H3
InChIKeyKBQNDRQKQORYJA-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.48
Rot. Bonds6

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

2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile (PubChem CID 65495404) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile
PubChem CID65495404
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile
SMILESCCC(NCC1(CC#N)CC1)c1cccs1
InChIInChI=1S/C13H18N2S/c1-2-11(12-4-3-9-16-12)15-10-13(5-6-13)7-8-14/h3-4,9,11,15H,2,5-7,10H2,1H3
InChIKeyKBQNDRQKQORYJA-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopentyl]methanol
CID 115358763
[1-[(1-thiophen-2-ylpropylamino)methyl]cyclohexyl]methanol
CID 81419823
N-[(2,2-dimethylcyclopropyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 103902072
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
N-(1,3-dioxolan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 75504547
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
2-[1-[(2-methylpentan-3-ylamino)methyl]cyclopropyl]acetonitrile
CID 65495825
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 102897054
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
N-(1-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817555

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile (CID 65495404) is 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile is CCC(NCC1(CC#N)CC1)c1cccs1.
What is the InChIKey of 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile?
The InChIKey is KBQNDRQKQORYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-11(12-4-3-9-16-12)15-10-13(5-6-13)7-8-14/h3-4,9,11,15H,2,5-7,10H2,1H3.
What are the key properties of 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile?
2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile has a molecular weight of 234.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-thiophen-2-ylpropylamino)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).