N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine

C19H28N4S — CID 77092563

IUPACN,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(CN2CCCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C19H28N4S/c1-21(2)13-18-11-19(24-16-18)15-23-8-4-7-22(9-10-23)14-17-5-3-6-20-12-17/h3,5-6,11-12,16H,4,7-10,13-15H2,1-2H3
InChIKeyGYZCKFHEDXTILB-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.91
Rot. Bonds6

About N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine (PubChem CID 77092563) has the molecular formula C19H28N4S and a molecular weight of 344.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
PubChem CID77092563
Molecular FormulaC19H28N4S
Molecular Weight344.53 g/mol
Exact Mass344.20
IUPAC NameN,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(CN2CCCN(Cc3cccnc3)CC2)c1
InChIInChI=1S/C19H28N4S/c1-21(2)13-18-11-19(24-16-18)15-23-8-4-7-22(9-10-23)14-17-5-3-6-20-12-17/h3,5-6,11-12,16H,4,7-10,13-15H2,1-2H3
InChIKeyGYZCKFHEDXTILB-UHFFFAOYSA-N
XLogP2.91
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine with MolForge

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Related Compounds

3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
1-[(2R)-2-phenylpropyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 95718209
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
(5-iodothiophen-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 78950056
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 131939280
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 97205848

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine (CID 77092563) is N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine is CN(C)Cc1csc(CN2CCCN(Cc3cccnc3)CC2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine?
The InChIKey is GYZCKFHEDXTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4S/c1-21(2)13-18-11-19(24-16-18)15-23-8-4-7-22(9-10-23)14-17-5-3-6-20-12-17/h3,5-6,11-12,16H,4,7-10,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine has a molecular weight of 344.53 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine is sourced from PubChem (CID 77092563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).