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

C15H22N2 — CID 82495253

IUPACN-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
SMILESCNCCCc1c(C)[nH]c2c(C)c(C)ccc12
InChIInChI=1S/C15H22N2/c1-10-7-8-14-13(6-5-9-16-4)12(3)17-15(14)11(10)2/h7-8,16-17H,5-6,9H2,1-4H3
InChIKeyVAASWSFAUWPKHQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.25
Rot. Bonds4

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

N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine (PubChem CID 82495253) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
PubChem CID82495253
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine
SMILESCNCCCc1c(C)[nH]c2c(C)c(C)ccc12
InChIInChI=1S/C15H22N2/c1-10-7-8-14-13(6-5-9-16-4)12(3)17-15(14)11(10)2/h7-8,16-17H,5-6,9H2,1-4H3
InChIKeyVAASWSFAUWPKHQ-UHFFFAOYSA-N
XLogP3.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
2-(7-bromo-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 82501777
3-(2,7-dimethyl-1H-indol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674967
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
CID 139705258
3-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)-N-methylpropan-1-amine
CID 96678727
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
[1-(2,6,7-trimethyl-1H-indol-3-yl)cyclopropyl]methanamine
CID 82494845
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555
4-[2-(4-fluorophenyl)-6,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 3458945
4-(6-chloro-2,7-dimethyl-1H-indol-3-yl)butan-2-one
CID 82499106
3-ethyl-6,7-dimethyl-1H-indole-2-carboxylic acid
CID 84622566
N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494841

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine (CID 82495253) is N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine is CNCCCc1c(C)[nH]c2c(C)c(C)ccc12.
What is the InChIKey of N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is VAASWSFAUWPKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10-7-8-14-13(6-5-9-16-4)12(3)17-15(14)11(10)2/h7-8,16-17H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine?
N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,6,7-trimethyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 82495253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).