N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine

C13H22N2 — CID 70591221

IUPACN-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
SMILESCNCCCC1C2=C(C=CC1C)CCN2
InChIInChI=1S/C13H22N2/c1-10-5-6-11-7-9-15-13(11)12(10)4-3-8-14-2/h5-6,10,12,14-15H,3-4,7-9H2,1-2H3
InChIKeyXQOOIDBLGQYQQV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.06
Rot. Bonds4

About N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine

N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine (PubChem CID 70591221) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
PubChem CID70591221
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine
SMILESCNCCCC1C2=C(C=CC1C)CCN2
InChIInChI=1S/C13H22N2/c1-10-5-6-11-7-9-15-13(11)12(10)4-3-8-14-2/h5-6,10,12,14-15H,3-4,7-9H2,1-2H3
InChIKeyXQOOIDBLGQYQQV-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine (CID 70591221) is N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine is CNCCCC1C2=C(C=CC1C)CCN2.
What is the InChIKey of N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
The InChIKey is XQOOIDBLGQYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10-5-6-11-7-9-15-13(11)12(10)4-3-8-14-2/h5-6,10,12,14-15H,3-4,7-9H2,1-2H3.
What are the key properties of N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine?
N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-amine is sourced from PubChem (CID 70591221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).