N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine

C14H30N2S2 — CID 11666450

IUPACN-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CSC(CNC(C)(C)C)CS1
InChIInChI=1S/C14H30N2S2/c1-13(2,3)15-7-11-9-18-12(10-17-11)8-16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyWSBIXPMGCGJWRU-UHFFFAOYSA-N
MW290.54 g/mol
LogP2.98
Rot. Bonds4

About N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 11666450) has the molecular formula C14H30N2S2 and a molecular weight of 290.54 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID11666450
Molecular FormulaC14H30N2S2
Molecular Weight290.54 g/mol
Exact Mass290.19
IUPAC NameN-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CSC(CNC(C)(C)C)CS1
InChIInChI=1S/C14H30N2S2/c1-13(2,3)15-7-11-9-18-12(10-17-11)8-16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyWSBIXPMGCGJWRU-UHFFFAOYSA-N
XLogP2.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-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

3,3-Dimethylthiomorpholine
CID 14988015
1,8-Dithia-4,11-diazacyclotetradecane
CID 16036409
5-Trimethyl-thiomorpholin
CID 19848469
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
13-Methyl-1,11-dithia-4,8-diazacyclotetradecan-13-amine
CID 90806516
3-Trimethyl-thiomorpholin
CID 129647742
N-(1-fluoro-2-methylpropan-2-yl)thian-4-amine
CID 130685701
N-[2-[2-(tert-butylamino)ethylsulfanyl]ethyl]-2-methylpropan-2-amine
CID 13318918
N-(2-tert-butylsulfanylethyl)-2-methylpropan-2-amine
CID 20760260
N-propylthian-4-amine
CID 21709936
2-methyl-N-(3-methylsulfanylpropyl)propan-2-amine
CID 28608496
N-(propan-2-yl)thian-4-amine
CID 43394807

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine (CID 11666450) is N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CSC(CNC(C)(C)C)CS1.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WSBIXPMGCGJWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S2/c1-13(2,3)15-7-11-9-18-12(10-17-11)8-16-14(4,5)6/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.54 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]-1,4-dithian-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 11666450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).