N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine

C16H29ClN2S — CID 63494592

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C16H29ClN2S/c1-5-10-18-12-16(6-2,7-3)13-19(4)11-14-8-9-15(17)20-14/h8-9,18H,5-7,10-13H2,1-4H3
InChIKeyKSZQUXJYLBOOBH-UHFFFAOYSA-N
MW316.94 g/mol
LogP4.64
Rot. Bonds10

About N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine

N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine (PubChem CID 63494592) has the molecular formula C16H29ClN2S and a molecular weight of 316.94 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
PubChem CID63494592
Molecular FormulaC16H29ClN2S
Molecular Weight316.94 g/mol
Exact Mass316.17
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(CC)(CC)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C16H29ClN2S/c1-5-10-18-12-16(6-2,7-3)13-19(4)11-14-8-9-15(17)20-14/h8-9,18H,5-7,10-13H2,1-4H3
InChIKeyKSZQUXJYLBOOBH-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.94
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-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-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005028
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylpentanoic acid
CID 62272699
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
2-[(5-chlorothiophen-2-yl)methyl]-N,2-diethylhexan-1-amine
CID 63508597
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propylpyrazin-2-amine
CID 103055827
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine (CID 63494592) is N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine is CCCNCC(CC)(CC)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
The InChIKey is KSZQUXJYLBOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN2S/c1-5-10-18-12-16(6-2,7-3)13-19(4)11-14-8-9-15(17)20-14/h8-9,18H,5-7,10-13H2,1-4H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine has a molecular weight of 316.94 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 63494592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).