N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

C17H28N2S — CID 80728424

IUPACN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1CN1CCCC(C)C1C
InChIInChI=1S/C17H28N2S/c1-12-5-4-8-19(13(12)2)11-15-9-17(20-14(15)3)10-18-16-6-7-16/h9,12-13,16,18H,4-8,10-11H2,1-3H3
InChIKeyXKDIXRQCORQRBK-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.93
Rot. Bonds5

About N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine

N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 80728424) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID80728424
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1sc(CNC2CC2)cc1CN1CCCC(C)C1C
InChIInChI=1S/C17H28N2S/c1-12-5-4-8-19(13(12)2)11-15-9-17(20-14(15)3)10-18-16-6-7-16/h9,12-13,16,18H,4-8,10-11H2,1-3H3
InChIKeyXKDIXRQCORQRBK-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80721377
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727249
N-[[5-methyl-4-[(2-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727521
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729300
N-[[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80729604
2-methyl-N-[[5-methyl-4-[(2-methylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727676
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80727648
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412465
N-[[5-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80721416

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine (CID 80728424) is N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is Cc1sc(CNC2CC2)cc1CN1CCCC(C)C1C.
What is the InChIKey of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is XKDIXRQCORQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-12-5-4-8-19(13(12)2)11-15-9-17(20-14(15)3)10-18-16-6-7-16/h9,12-13,16,18H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine?
N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 292.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 80728424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).