N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine

C19H28N2 — CID 118475595

IUPACN-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine
SMILESCc1cc(C)c2cc(CNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C19H28N2/c1-14-10-15(2)18-12-17(21-19(18)11-14)13-20-16-8-6-4-3-5-7-9-16/h10-12,16,20-21H,3-9,13H2,1-2H3
InChIKeyAZYSCNADHORQRF-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.99
Rot. Bonds3

About N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine

N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine (PubChem CID 118475595) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine
PubChem CID118475595
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine
SMILESCc1cc(C)c2cc(CNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C19H28N2/c1-14-10-15(2)18-12-17(21-19(18)11-14)13-20-16-8-6-4-3-5-7-9-16/h10-12,16,20-21H,3-9,13H2,1-2H3
InChIKeyAZYSCNADHORQRF-UHFFFAOYSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine?
The IUPAC name of N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine (CID 118475595) is N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine?
The canonical SMILES for N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine is Cc1cc(C)c2cc(CNC3CCCCCCC3)[nH]c2c1.
What is the InChIKey of N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine?
The InChIKey is AZYSCNADHORQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-14-10-15(2)18-12-17(21-19(18)11-14)13-20-16-8-6-4-3-5-7-9-16/h10-12,16,20-21H,3-9,13H2,1-2H3.
What are the key properties of N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine?
N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine has a molecular weight of 284.45 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-1H-indol-2-yl)methyl]cyclooctanamine is sourced from PubChem (CID 118475595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).