N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine

C15H22N2 — CID 84626383

IUPACN-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
SMILESCNCCCc1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C15H22N2/c1-11-7-5-8-13-12(2)14(9-6-10-16-3)17(4)15(11)13/h5,7-8,16H,6,9-10H2,1-4H3
InChIKeyZGJINBHTTVSTKG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine

N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine (PubChem CID 84626383) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
PubChem CID84626383
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine
SMILESCNCCCc1c(C)c2cccc(C)c2n1C
InChIInChI=1S/C15H22N2/c1-11-7-5-8-13-12(2)14(9-6-10-16-3)17(4)15(11)13/h5,7-8,16H,6,9-10H2,1-4H3
InChIKeyZGJINBHTTVSTKG-UHFFFAOYSA-N
XLogP2.95
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-1,3,7-trimethylindole
CID 117127854
3-(2-bromo-6-methylphenyl)-N-methylpropan-1-amine
CID 84737080
3-(1,3,4,7-tetramethylindol-2-yl)propan-1-amine
CID 83859861
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
2-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanamine
CID 83919995
N-methyl-2-(1,6,7-trimethylindol-2-yl)ethanamine
CID 84622439
N,2-dimethyl-6-[3-(methylamino)propyl]aniline
CID 143047575
8-ethyl-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84637259
N,N,2,8-tetramethyl-3-[3-(methylamino)propyl]quinolin-4-amine
CID 82247606
8-chloro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84639727
8-fluoro-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84633123
N'-[(1,3-dimethylindol-2-yl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 107236430

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine (CID 84626383) is N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine is CNCCCc1c(C)c2cccc(C)c2n1C.
What is the InChIKey of N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine?
The InChIKey is ZGJINBHTTVSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-7-5-8-13-12(2)14(9-6-10-16-3)17(4)15(11)13/h5,7-8,16H,6,9-10H2,1-4H3.
What are the key properties of N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine?
N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3,7-trimethylindol-2-yl)propan-1-amine is sourced from PubChem (CID 84626383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).