N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

C17H27N3S — CID 107556778

IUPACN-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCC(N3CCCC3)C2)sc1CNC1CC1
InChIInChI=1S/C17H27N3S/c1-2-9-20(8-1)15-7-10-19(12-15)13-17-6-5-16(21-17)11-18-14-3-4-14/h5-6,14-15,18H,1-4,7-13H2
InChIKeySWTGEIHBEAYYLL-UHFFFAOYSA-N
MW305.49 g/mol
LogP2.67
Rot. Bonds6

About N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107556778) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107556778
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESc1cc(CN2CCC(N3CCCC3)C2)sc1CNC1CC1
InChIInChI=1S/C17H27N3S/c1-2-9-20(8-1)15-7-10-19(12-15)13-17-6-5-16(21-17)11-18-14-3-4-14/h5-6,14-15,18H,1-4,7-13H2
InChIKeySWTGEIHBEAYYLL-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557262
N-[[5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107556740
N-[[5-[[3-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557670
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
N-[[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555649
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107556834
N-[[5-[(2-ethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555922
N-[[5-(1,3-dihydroisoindol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107555459
3-[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid
CID 76986836
N-[[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 79915668
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)furan-3-yl]methyl]cyclopropanamine
CID 79915678
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107556778) is N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is c1cc(CN2CCC(N3CCCC3)C2)sc1CNC1CC1.
What is the InChIKey of N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is SWTGEIHBEAYYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-2-9-20(8-1)15-7-10-19(12-15)13-17-6-5-16(21-17)11-18-14-3-4-14/h5-6,14-15,18H,1-4,7-13H2.
What are the key properties of N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 305.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107556778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).