1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine

C16H29N3S — CID 62886058

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)s1)N1CCCC1CN(C)C
InChIInChI=1S/C16H29N3S/c1-5-14(17)16(15-9-8-12(2)20-15)19-10-6-7-13(19)11-18(3)4/h8-9,13-14,16H,5-7,10-11,17H2,1-4H3
InChIKeyHABJZAJLJDLBGC-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.86
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine (PubChem CID 62886058) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine
PubChem CID62886058
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(C)s1)N1CCCC1CN(C)C
InChIInChI=1S/C16H29N3S/c1-5-14(17)16(15-9-8-12(2)20-15)19-10-6-7-13(19)11-18(3)4/h8-9,13-14,16H,5-7,10-11,17H2,1-4H3
InChIKeyHABJZAJLJDLBGC-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(5-methylthiophen-2-yl)butan-2-amine
CID 82746998
3-[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]pyrrolidin-2-yl]propan-1-ol
CID 55076018
[1-[2-amino-1-(5-methylthiophen-2-yl)propyl]azepan-2-yl]methanol
CID 116634140
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]-1-(5-methylthiophen-2-yl)butane-1,2-diamine
CID 63232892
1-(5-chlorothiophen-2-yl)-1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methylbutane-1,2-diamine
CID 79303566
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
3-[1-[2-amino-1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076067
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)ethanone
CID 62889309
2-(2,3-dimethylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 62124587
1-(5-methylthiophen-2-yl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 62198523
[1-[2-amino-1-(4-bromothiophen-2-yl)butyl]azepan-2-yl]methanol
CID 116634116

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine (CID 62886058) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine is CCC(N)C(c1ccc(C)s1)N1CCCC1CN(C)C.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine?
The InChIKey is HABJZAJLJDLBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-14(17)16(15-9-8-12(2)20-15)19-10-6-7-13(19)11-18(3)4/h8-9,13-14,16H,5-7,10-11,17H2,1-4H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 62886058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).