N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C18H25N3 — CID 107236024

IUPACN-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCn1cc(CNC2CCN3CCCC3C2)c2ccccc21
InChIInChI=1S/C18H25N3/c1-20-13-14(17-6-2-3-7-18(17)20)12-19-15-8-10-21-9-4-5-16(21)11-15/h2-3,6-7,13,15-16,19H,4-5,8-12H2,1H3
InChIKeyNQEWJSBGWQGNJJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.89
Rot. Bonds3

About N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 107236024) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID107236024
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCn1cc(CNC2CCN3CCCC3C2)c2ccccc21
InChIInChI=1S/C18H25N3/c1-20-13-14(17-6-2-3-7-18(17)20)12-19-15-8-10-21-9-4-5-16(21)11-15/h2-3,6-7,13,15-16,19H,4-5,8-12H2,1H3
InChIKeyNQEWJSBGWQGNJJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine with MolForge

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Related Compounds

4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
(7R,8aS)-N-[[2-[ethyl(methyl)amino]phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124855746
N-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728521
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728549
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
N-[(2-chloro-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106863004
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
N-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78916571
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-4-methylphenol
CID 78959743
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 107236024) is N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Cn1cc(CNC2CCN3CCCC3C2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is NQEWJSBGWQGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-20-13-14(17-6-2-3-7-18(17)20)12-19-15-8-10-21-9-4-5-16(21)11-15/h2-3,6-7,13,15-16,19H,4-5,8-12H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 283.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 107236024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).