N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C17H26N2OS — CID 62257956

IUPACN-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1c2ccsc2CCN1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H26N2OS/c1-13-15-5-9-21-16(15)4-7-19(13)11-17(6-8-20-12-17)10-18-14-2-3-14/h5,9,13-14,18H,2-4,6-8,10-12H2,1H3
InChIKeyUPBMZHHBUGBNTI-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.83
Rot. Bonds5

About N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62257956) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62257956
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1c2ccsc2CCN1CC1(CNC2CC2)CCOC1
InChIInChI=1S/C17H26N2OS/c1-13-15-5-9-21-16(15)4-7-19(13)11-17(6-8-20-12-17)10-18-14-2-3-14/h5,9,13-14,18H,2-4,6-8,10-12H2,1H3
InChIKeyUPBMZHHBUGBNTI-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62257956) is N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CC1c2ccsc2CCN1CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is UPBMZHHBUGBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-13-15-5-9-21-16(15)4-7-19(13)11-17(6-8-20-12-17)10-18-14-2-3-14/h5,9,13-14,18H,2-4,6-8,10-12H2,1H3.
What are the key properties of N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 306.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62257956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).