N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C9H16N2S — CID 4719998

IUPACN-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1cccs1
InChIInChI=1S/C9H16N2S/c1-10-5-3-6-11-8-9-4-2-7-12-9/h2,4,7,10-11H,3,5-6,8H2,1H3
InChIKeyAKWYSLOMELVPOX-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.45
Rot. Bonds6

About N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 4719998) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID4719998
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCNCCCNCc1cccs1
InChIInChI=1S/C9H16N2S/c1-10-5-3-6-11-8-9-4-2-7-12-9/h2,4,7,10-11H,3,5-6,8H2,1H3
InChIKeyAKWYSLOMELVPOX-UHFFFAOYSA-N
XLogP1.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-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

2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
2-[(R)-methylsulfinyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 97064689
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
3-(2-chloroethoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106306185
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 4719998) is N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CNCCCNCc1cccs1.
What is the InChIKey of N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is AKWYSLOMELVPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-10-5-3-6-11-8-9-4-2-7-12-9/h2,4,7,10-11H,3,5-6,8H2,1H3.
What are the key properties of N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 4719998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).