2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol

C16H22N2O — CID 102911793

IUPAC2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O/c19-16-5-3-1-2-4-15(16)18-11-12-6-7-14-13(10-12)8-9-17-14/h6-10,15-19H,1-5,11H2
InChIKeyMNXJWKUHRBLNSC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.95
Rot. Bonds3

About 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol

2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol (PubChem CID 102911793) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
PubChem CID102911793
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H22N2O/c19-16-5-3-1-2-4-15(16)18-11-12-6-7-14-13(10-12)8-9-17-14/h6-10,15-19H,1-5,11H2
InChIKeyMNXJWKUHRBLNSC-UHFFFAOYSA-N
XLogP2.95
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
2-(1H-indol-5-ylmethylamino)cyclopentane-1-carbonitrile
CID 102910834
N-(1H-indol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 102911435
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
N-cycloheptyl-2-(1H-indol-5-yl)acetamide
CID 84577573
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
2-(1H-indol-5-yl)-N-(2-methylcyclohexyl)acetamide
CID 84577838
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol?
The IUPAC name of 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol (CID 102911793) is 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol is OC1CCCCCC1NCc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol?
The InChIKey is MNXJWKUHRBLNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16-5-3-1-2-4-15(16)18-11-12-6-7-14-13(10-12)8-9-17-14/h6-10,15-19H,1-5,11H2.
What are the key properties of 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol?
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol is sourced from PubChem (CID 102911793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).