2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile

C14H20N2S — CID 65494867

IUPAC2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)N(Cc1cccs1)CC1(CC#N)CC1
InChIInChI=1S/C14H20N2S/c1-12(2)16(10-13-4-3-9-17-13)11-14(5-6-14)7-8-15/h3-4,9,12H,5-7,10-11H2,1-2H3
InChIKeyRYYXAYVBNHRAEY-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65494867) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65494867
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC(C)N(Cc1cccs1)CC1(CC#N)CC1
InChIInChI=1S/C14H20N2S/c1-12(2)16(10-13-4-3-9-17-13)11-14(5-6-14)7-8-15/h3-4,9,12H,5-7,10-11H2,1-2H3
InChIKeyRYYXAYVBNHRAEY-UHFFFAOYSA-N
XLogP3.65
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
2-[1-(2-thiophen-2-ylethoxymethyl)cyclopropyl]acetonitrile
CID 65494698
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
3-[ethyl(thiophen-2-ylmethyl)amino]butanenitrile
CID 61436724
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 61451334
2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
CID 65496533
1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242334
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile (CID 65494867) is 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile is CC(C)N(Cc1cccs1)CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is RYYXAYVBNHRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-12(2)16(10-13-4-3-9-17-13)11-14(5-6-14)7-8-15/h3-4,9,12H,5-7,10-11H2,1-2H3.
What are the key properties of 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 248.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).