N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine

C17H22N2OS — CID 126766560

IUPACN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OCC2CC2)nc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-2-15(16-4-3-9-21-16)18-10-14-7-8-17(19-11-14)20-12-13-5-6-13/h3-4,7-9,11,13,15,18H,2,5-6,10,12H2,1H3
InChIKeyHHZAYANILVDYNT-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.17
Rot. Bonds8

About N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine

N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 126766560) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID126766560
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NCc1ccc(OCC2CC2)nc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-2-15(16-4-3-9-21-16)18-10-14-7-8-17(19-11-14)20-12-13-5-6-13/h3-4,7-9,11,13,15,18H,2,5-6,10,12H2,1H3
InChIKeyHHZAYANILVDYNT-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43206362
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111581310
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057881
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
N-[(4-methoxy-3-methylphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058748
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428
2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851

Frequently Asked Questions

What is the IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine (CID 126766560) is N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NCc1ccc(OCC2CC2)nc1)c1cccs1.
What is the InChIKey of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is HHZAYANILVDYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-15(16-4-3-9-21-16)18-10-14-7-8-17(19-11-14)20-12-13-5-6-13/h3-4,7-9,11,13,15,18H,2,5-6,10,12H2,1H3.
What are the key properties of N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine?
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 126766560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).