[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol

C17H26N2O — CID 80648578

IUPAC[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C17H26N2O/c1-13-4-3-8-17(10-13,12-20)19-11-15-6-2-5-14-7-9-18-16(14)15/h2,5-6,13,18-20H,3-4,7-12H2,1H3
InChIKeyIDPPBUXFPCNJJQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.69
Rot. Bonds4

About [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol

[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol (PubChem CID 80648578) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
PubChem CID80648578
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cccc3c2NCC3)C1
InChIInChI=1S/C17H26N2O/c1-13-4-3-8-17(10-13,12-20)19-11-15-6-2-5-14-7-9-18-16(14)15/h2,5-6,13,18-20H,3-4,7-12H2,1H3
InChIKeyIDPPBUXFPCNJJQ-UHFFFAOYSA-N
XLogP2.69
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[3-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699549
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 80649220
[3-methyl-1-(1H-pyrrol-3-ylmethylamino)cyclohexyl]methanol
CID 66410290
3-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 114318191
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 62552994
[1-(furan-2-ylmethylamino)-3-methylcyclohexyl]methanol
CID 62553513
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[3-methyl-1-[(1-methylindol-3-yl)methylamino]cyclohexyl]methanol
CID 107235623
[1-[(4-tert-butylphenyl)methylamino]-3-methylcyclohexyl]methanol
CID 63476984

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol?
The IUPAC name of [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol (CID 80648578) is [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2cccc3c2NCC3)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol?
The InChIKey is IDPPBUXFPCNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-3-8-17(10-13,12-20)19-11-15-6-2-5-14-7-9-18-16(14)15/h2,5-6,13,18-20H,3-4,7-12H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol?
[1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol has a molecular weight of 274.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-indol-7-ylmethylamino)-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80648578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).