6-[(1-methylindol-3-yl)methylamino]hexan-1-ol

C16H24N2O — CID 107849119

IUPAC6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
SMILESCn1cc(CNCCCCCCO)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-18-13-14(15-8-4-5-9-16(15)18)12-17-10-6-2-3-7-11-19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3
InChIKeyKVCXYEYXTYMEKP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.82
Rot. Bonds8

About 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol

6-[(1-methylindol-3-yl)methylamino]hexan-1-ol (PubChem CID 107849119) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
PubChem CID107849119
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
SMILESCn1cc(CNCCCCCCO)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-18-13-14(15-8-4-5-9-16(15)18)12-17-10-6-2-3-7-11-19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3
InChIKeyKVCXYEYXTYMEKP-UHFFFAOYSA-N
XLogP2.82
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
CID 115217783
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040437
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
ethyl 4-[(1-methylindol-3-yl)methylamino]butanoate
CID 65072383
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol (CID 107849119) is 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol is Cn1cc(CNCCCCCCO)c2ccccc21.
What is the InChIKey of 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol?
The InChIKey is KVCXYEYXTYMEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-18-13-14(15-8-4-5-9-16(15)18)12-17-10-6-2-3-7-11-19/h4-5,8-9,13,17,19H,2-3,6-7,10-12H2,1H3.
What are the key properties of 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol?
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylindol-3-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 107849119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).