1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol

C14H18N2O — CID 111114552

IUPAC1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C14H18N2O/c17-14(6-2-7-14)10-15-9-11-3-1-4-13-12(11)5-8-16-13/h1,3-5,8,15-17H,2,6-7,9-10H2
InChIKeyBRNDGHPXZMQDAU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.17
Rot. Bonds4

About 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol

1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 111114552) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID111114552
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1(CNCc2cccc3[nH]ccc23)CCC1
InChIInChI=1S/C14H18N2O/c17-14(6-2-7-14)10-15-9-11-3-1-4-13-12(11)5-8-16-13/h1,3-5,8,15-17H,2,6-7,9-10H2
InChIKeyBRNDGHPXZMQDAU-UHFFFAOYSA-N
XLogP2.17
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 113252690
2-[1-[(1H-indol-4-ylmethylamino)methyl]cyclopropyl]ethanol
CID 114750289
3-[(1H-indol-4-ylmethylamino)methyl]-2-methyloxolan-3-ol
CID 107268183
1-[(1H-indol-7-ylmethylamino)methyl]cyclopentan-1-ol
CID 113234393
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
1-(1H-indol-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]methanamine
CID 119110022
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
1-(1H-indol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705018
1-[(1H-indol-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 102911180
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185

Frequently Asked Questions

What is the IUPAC name of 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol (CID 111114552) is 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol is OC1(CNCc2cccc3[nH]ccc23)CCC1.
What is the InChIKey of 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is BRNDGHPXZMQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(6-2-7-14)10-15-9-11-3-1-4-13-12(11)5-8-16-13/h1,3-5,8,15-17H,2,6-7,9-10H2.
What are the key properties of 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol?
1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-indol-4-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).