N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

C16H24ClN3 — CID 78968570

IUPACN-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H24ClN3/c1-16(2,11-20(3)4)10-18-8-12-9-19-15-7-13(17)5-6-14(12)15/h5-7,9,18-19H,8,10-11H2,1-4H3
InChIKeyVFEJCNOUVZASEI-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.50
Rot. Bonds6

About N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 78968570) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID78968570
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H24ClN3/c1-16(2,11-20(3)4)10-18-8-12-9-19-15-7-13(17)5-6-14(12)15/h5-7,9,18-19H,8,10-11H2,1-4H3
InChIKeyVFEJCNOUVZASEI-UHFFFAOYSA-N
XLogP3.50
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-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

N-[(6-chloro-1H-indol-3-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940997
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylpentan-3-amine
CID 106328237
2-[(6-chloro-1H-indol-3-yl)methylamino]-N,N-dimethylethanesulfonamide
CID 106335391
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
N-[(6-chloro-1H-indol-3-yl)methyl]-2-methoxypropan-1-amine
CID 102695801
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 113487350
2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543131
1-(6-chloro-1H-indol-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369834
N-[(6-chloro-1H-indol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 78974959
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568
3,5-dichloro-N-[(6-chloro-1H-indol-3-yl)methyl]-4-fluoroaniline
CID 107572650

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 78968570) is N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VFEJCNOUVZASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-16(2,11-20(3)4)10-18-8-12-9-19-15-7-13(17)5-6-14(12)15/h5-7,9,18-19H,8,10-11H2,1-4H3.
What are the key properties of N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 293.84 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-indol-3-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 78968570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).