N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine

C9H16N2S — CID 62064771

IUPACN-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccsc1
InChIInChI=1S/C9H16N2S/c1-7(2)11-9(5-10)8-3-4-12-6-8/h3-4,6-7,9,11H,5,10H2,1-2H3
InChIKeyQUTVBQGKKYJGOK-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.75
Rot. Bonds4

About N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine

N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 62064771) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID62064771
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
SMILESCC(C)NC(CN)c1ccsc1
InChIInChI=1S/C9H16N2S/c1-7(2)11-9(5-10)8-3-4-12-6-8/h3-4,6-7,9,11H,5,10H2,1-2H3
InChIKeyQUTVBQGKKYJGOK-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine 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

N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
N-(2-bromophenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65384490
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
methyl 3-amino-2-thiophen-3-ylpropanoate
CID 19756646
4-thiophen-3-ylpentan-1-amine
CID 83927705
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
CID 134307108
[2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethyl]hydrazine
CID 105312095

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine (CID 62064771) is N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine is CC(C)NC(CN)c1ccsc1.
What is the InChIKey of N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is QUTVBQGKKYJGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)11-9(5-10)8-3-4-12-6-8/h3-4,6-7,9,11H,5,10H2,1-2H3.
What are the key properties of N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine?
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 62064771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).