N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine

C18H29FN2 — CID 141139585

IUPACN-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
SMILESCN(CCC1CC=C2C(F)=CNC2C1)CC1CCCCC1
InChIInChI=1S/C18H29FN2/c1-21(13-15-5-3-2-4-6-15)10-9-14-7-8-16-17(19)12-20-18(16)11-14/h8,12,14-15,18,20H,2-7,9-11,13H2,1H3
InChIKeyCPIFWCVUNJAQIA-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.01
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine

N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine (PubChem CID 141139585) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
PubChem CID141139585
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
SMILESCN(CCC1CC=C2C(F)=CNC2C1)CC1CCCCC1
InChIInChI=1S/C18H29FN2/c1-21(13-15-5-3-2-4-6-15)10-9-14-7-8-16-17(19)12-20-18(16)11-14/h8,12,14-15,18,20H,2-7,9-11,13H2,1H3
InChIKeyCPIFWCVUNJAQIA-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine (CID 141139585) is N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine is CN(CCC1CC=C2C(F)=CNC2C1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine?
The InChIKey is CPIFWCVUNJAQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-21(13-15-5-3-2-4-6-15)10-9-14-7-8-16-17(19)12-20-18(16)11-14/h8,12,14-15,18,20H,2-7,9-11,13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine?
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine has a molecular weight of 292.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine is sourced from PubChem (CID 141139585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).