N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine

C16H22N2 — CID 113252690

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
SMILESCCC1(CNCc2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C16H22N2/c1-2-16(8-4-9-16)12-17-11-13-5-3-6-15-14(13)7-10-18-15/h3,5-7,10,17-18H,2,4,8-9,11-12H2,1H3
InChIKeyMMAQJLNJHPQMBB-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.84
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine (PubChem CID 113252690) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
PubChem CID113252690
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
SMILESCCC1(CNCc2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C16H22N2/c1-2-16(8-4-9-16)12-17-11-13-5-3-6-15-14(13)7-10-18-15/h3,5-7,10,17-18H,2,4,8-9,11-12H2,1H3
InChIKeyMMAQJLNJHPQMBB-UHFFFAOYSA-N
XLogP3.84
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 111114552
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
N-[(1-ethylcyclobutyl)methyl]-1H-indole-4-carboxamide
CID 103741634
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
CID 119110022
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine (CID 113252690) is N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine is CCC1(CNCc2cccc3[nH]ccc23)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine?
The InChIKey is MMAQJLNJHPQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-16(8-4-9-16)12-17-11-13-5-3-6-15-14(13)7-10-18-15/h3,5-7,10,17-18H,2,4,8-9,11-12H2,1H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine has a molecular weight of 242.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine is sourced from PubChem (CID 113252690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).