N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C16H26N2S — CID 63142747

IUPACN-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCCC1(CN(Cc2ccsc2)C2CC2)CCNC1
InChIInChI=1S/C16H26N2S/c1-2-6-16(7-8-17-12-16)13-18(15-3-4-15)10-14-5-9-19-11-14/h5,9,11,15,17H,2-4,6-8,10,12-13H2,1H3
InChIKeyOTHFFOKVKKWYEU-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.49
Rot. Bonds7

About N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 63142747) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID63142747
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCCCC1(CN(Cc2ccsc2)C2CC2)CCNC1
InChIInChI=1S/C16H26N2S/c1-2-6-16(7-8-17-12-16)13-18(15-3-4-15)10-14-5-9-19-11-14/h5,9,11,15,17H,2-4,6-8,10,12-13H2,1H3
InChIKeyOTHFFOKVKKWYEU-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 63142747) is N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is CCCC1(CN(Cc2ccsc2)C2CC2)CCNC1.
What is the InChIKey of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is OTHFFOKVKKWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-6-16(7-8-17-12-16)13-18(15-3-4-15)10-14-5-9-19-11-14/h5,9,11,15,17H,2-4,6-8,10,12-13H2,1H3.
What are the key properties of N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 278.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylpyrrolidin-3-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 63142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).