N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine

C17H25NS2 — CID 43788223

IUPACN-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H25NS2/c1-16(2,3)12-17(4,5)18-15(13-8-6-10-19-13)14-9-7-11-20-14/h6-11,15,18H,12H2,1-5H3
InChIKeyJUASXSFPCRTADU-UHFFFAOYSA-N
MW307.53 g/mol
LogP5.70
Rot. Bonds5

About N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine

N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine (PubChem CID 43788223) has the molecular formula C17H25NS2 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
PubChem CID43788223
Molecular FormulaC17H25NS2
Molecular Weight307.53 g/mol
Exact Mass307.14
IUPAC NameN-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H25NS2/c1-16(2,3)12-17(4,5)18-15(13-8-6-10-19-13)14-9-7-11-20-14/h6-11,15,18H,12H2,1-5H3
InChIKeyJUASXSFPCRTADU-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-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

Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
2-(Thiophen-2-yl)pyrrolidine
CID 339554
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
4-(thiophen-2-yl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485299
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
N-([2,2'-Bithiophen]-5-ylmethyl)adamantan-1-amine
CID 89615541
1,4-Cyclohexanebis(methylamine), N,N'-bis(2-thienylmethyl)-, dihydrochloride
CID 71056
1-(1-Methyl-3,3-di-2-thienylpropyl)pyrrolidine hydrochloride
CID 113829
2-Thenylamine, alpha-benzyl-N-isopropyl-, hydrochloride
CID 3061991
2-Thenylamine, N-isopropyl-alpha-(m-methylbenzyl)-, hydrochloride
CID 3062028
2-Thenylamine, N-isopropyl-alpha-(p-methylbenzyl)-, hydrochloride
CID 3062034

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine (CID 43788223) is N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
The InChIKey is JUASXSFPCRTADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS2/c1-16(2,3)12-17(4,5)18-15(13-8-6-10-19-13)14-9-7-11-20-14/h6-11,15,18H,12H2,1-5H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine?
N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine has a molecular weight of 307.53 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43788223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).