1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine

C16H29N3S — CID 74251551

IUPAC1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
SMILESCN(C)Cc1csc(CN2CCCC(N(C)C)CC2)c1
InChIInChI=1S/C16H29N3S/c1-17(2)11-14-10-16(20-13-14)12-19-8-5-6-15(7-9-19)18(3)4/h10,13,15H,5-9,11-12H2,1-4H3
InChIKeyWAEKZAIDHILBQU-UHFFFAOYSA-N
MW295.50 g/mol
LogP2.73
Rot. Bonds5

About 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine (PubChem CID 74251551) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
PubChem CID74251551
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
SMILESCN(C)Cc1csc(CN2CCCC(N(C)C)CC2)c1
InChIInChI=1S/C16H29N3S/c1-17(2)11-14-10-16(20-13-14)12-19-8-5-6-15(7-9-19)18(3)4/h10,13,15H,5-9,11-12H2,1-4H3
InChIKeyWAEKZAIDHILBQU-UHFFFAOYSA-N
XLogP2.73
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
CID 74248005
1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77082788
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 99929213
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95873408
9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77095979
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
(4S)-N,N-dimethyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]azepan-4-amine
CID 99933542
(4S)-1-[(3,5-difluoro-4-methoxyphenyl)methyl]-N,N-dimethylazepan-4-amine
CID 99946945

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine (CID 74251551) is 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine is CN(C)Cc1csc(CN2CCCC(N(C)C)CC2)c1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine?
The InChIKey is WAEKZAIDHILBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-17(2)11-14-10-16(20-13-14)12-19-8-5-6-15(7-9-19)18(3)4/h10,13,15H,5-9,11-12H2,1-4H3.
What are the key properties of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine?
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine has a molecular weight of 295.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine is sourced from PubChem (CID 74251551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).