3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine

C16H24N2 — CID 96674980

IUPAC3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)c2[nH]cc(CCCNC(C)C)c2c1
InChIInChI=1S/C16H24N2/c1-11(2)17-7-5-6-14-10-18-16-13(4)8-12(3)9-15(14)16/h8-11,17-18H,5-7H2,1-4H3
InChIKeyNALAMKGLTBBMHN-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds5

About 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine

3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 96674980) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID96674980
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cc(C)c2[nH]cc(CCCNC(C)C)c2c1
InChIInChI=1S/C16H24N2/c1-11(2)17-7-5-6-14-10-18-16-13(4)8-12(3)9-15(14)16/h8-11,17-18H,5-7H2,1-4H3
InChIKeyNALAMKGLTBBMHN-UHFFFAOYSA-N
XLogP3.72
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]acetamide
CID 167080571
1-(5,7-dimethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490831
5,7-dimethyl-3-(2-methylpentyl)-1H-indole
CID 106985356
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
3-(2-methoxy-4,6-dimethylphenyl)-N-propan-2-ylpropan-1-amine
CID 98783993
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926
5,7-dimethyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497303
2-(5-chloro-7-methyl-1H-indol-3-yl)-N-ethylethanamine
CID 18702284
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine (CID 96674980) is 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine is Cc1cc(C)c2[nH]cc(CCCNC(C)C)c2c1.
What is the InChIKey of 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NALAMKGLTBBMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)17-7-5-6-14-10-18-16-13(4)8-12(3)9-15(14)16/h8-11,17-18H,5-7H2,1-4H3.
What are the key properties of 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine?
3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 96674980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).