N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine

C16H25N3 — CID 102909185

IUPACN'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H25N3/c1-16(2,12-19(3)4)11-17-10-13-5-6-14-7-8-18-15(14)9-13/h5-9,17-18H,10-12H2,1-4H3
InChIKeyVNNVZPDLSCQMLU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.85
Rot. Bonds6

About N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine

N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 102909185) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID102909185
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C16H25N3/c1-16(2,12-19(3)4)11-17-10-13-5-6-14-7-8-18-15(14)9-13/h5-9,17-18H,10-12H2,1-4H3
InChIKeyVNNVZPDLSCQMLU-UHFFFAOYSA-N
XLogP2.85
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-(1H-indol-6-ylmethyl)-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

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Lysergic acid amide
CID 442072
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
Ellipticine
CID 3213
(-)-Agroclavine
CID 73484

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine (CID 102909185) is N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNCc1ccc2cc[nH]c2c1.
What is the InChIKey of N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is VNNVZPDLSCQMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,12-19(3)4)11-17-10-13-5-6-14-7-8-18-15(14)9-13/h5-9,17-18H,10-12H2,1-4H3.
What are the key properties of N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 259.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-6-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 102909185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).