N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine

C18H28N2 — CID 141165638

IUPACN-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
SMILESCN(CCC1C=C2C=CN=C2CC1)CC1CCCCC1
InChIInChI=1S/C18H28N2/c1-20(14-16-5-3-2-4-6-16)12-10-15-7-8-18-17(13-15)9-11-19-18/h9,11,13,15-16H,2-8,10,12,14H2,1H3
InChIKeyFRJNEHFHXKJDED-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.19
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine

N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine (PubChem CID 141165638) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
PubChem CID141165638
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine
SMILESCN(CCC1C=C2C=CN=C2CC1)CC1CCCCC1
InChIInChI=1S/C18H28N2/c1-20(14-16-5-3-2-4-6-16)12-10-15-7-8-18-17(13-15)9-11-19-18/h9,11,13,15-16H,2-8,10,12,14H2,1H3
InChIKeyFRJNEHFHXKJDED-UHFFFAOYSA-N
XLogP4.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
4-Methyl-5-prop-2-enyl-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 53778331
4-Methyl-5-(3-methylbut-1-en-2-yl)-4,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),11-triene
CID 56631795
6-[(4-butylpiperidin-1-yl)methyl]-2H-indole
CID 60064673
N-methyl-N-[2-(7-methyl-7H-indol-3-yl)ethyl]cyclopropanamine
CID 67232442
6-[(1-ethylpiperidin-4-yl)-(1-methylpyrrolidin-2-yl)methyl]-7H-indole
CID 70187424
6,6-Diethyl-7,9-dimethylidene-8-prop-2-enylidene-1,2-dihydroquinolizin-5-ium
CID 90882917
3-methyl-3,8,8a,9-tetrahydro-2H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90887786
2-propan-2-yl-4,5,6,8,9,10-hexahydro-3H-isoindolo[1,2-a]isoquinolin-7-ium
CID 90962333
9-Ethyl-7-(2-methylpropyl)-6,6a,7,10b-tetrahydropyrazino[2,1-a]isoindole
CID 91130499
N,N-diethyl-4-[6-[1-(4-heptylcyclohex-2-en-1-yl)ethylimino]-3-methylcyclohex-2-en-1-yl]but-1-en-2-amine
CID 91131011
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine (CID 141165638) is N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine is CN(CCC1C=C2C=CN=C2CC1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine?
The InChIKey is FRJNEHFHXKJDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(14-16-5-3-2-4-6-16)12-10-15-7-8-18-17(13-15)9-11-19-18/h9,11,13,15-16H,2-8,10,12,14H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine?
N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine has a molecular weight of 272.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(6,7-dihydro-5H-indol-5-yl)-N-methylethanamine is sourced from PubChem (CID 141165638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).