6-ethyl-5-(1H-indol-3-yl)octan-1-amine

C18H28N2 — CID 173349471

IUPAC6-ethyl-5-(1H-indol-3-yl)octan-1-amine
SMILESCCC(CC)C(CCCCN)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2/c1-3-14(4-2)15(9-7-8-12-19)17-13-20-18-11-6-5-10-16(17)18/h5-6,10-11,13-15,20H,3-4,7-9,12,19H2,1-2H3
InChIKeyWAGHMUZCMSWONP-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.82
Rot. Bonds8

About 6-ethyl-5-(1H-indol-3-yl)octan-1-amine

6-ethyl-5-(1H-indol-3-yl)octan-1-amine (PubChem CID 173349471) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-ethyl-5-(1H-indol-3-yl)octan-1-amine.

Molecular Properties

Compound Name6-ethyl-5-(1H-indol-3-yl)octan-1-amine
PubChem CID173349471
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-ethyl-5-(1H-indol-3-yl)octan-1-amine
SMILESCCC(CC)C(CCCCN)c1c[nH]c2ccccc12
InChIInChI=1S/C18H28N2/c1-3-14(4-2)15(9-7-8-12-19)17-13-20-18-11-6-5-10-16(17)18/h5-6,10-11,13-15,20H,3-4,7-9,12,19H2,1-2H3
InChIKeyWAGHMUZCMSWONP-UHFFFAOYSA-N
XLogP4.82
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
5-(1H-indol-3-ylmethyl)-6-methylheptan-1-amine
CID 173349391
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-propan-2-yl-1H-indole
CID 12534824
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
CID 124566723

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(1H-indol-3-yl)octan-1-amine?
The IUPAC name of 6-ethyl-5-(1H-indol-3-yl)octan-1-amine (CID 173349471) is 6-ethyl-5-(1H-indol-3-yl)octan-1-amine.
What is the SMILES notation for 6-ethyl-5-(1H-indol-3-yl)octan-1-amine?
The canonical SMILES for 6-ethyl-5-(1H-indol-3-yl)octan-1-amine is CCC(CC)C(CCCCN)c1c[nH]c2ccccc12.
What is the InChIKey of 6-ethyl-5-(1H-indol-3-yl)octan-1-amine?
The InChIKey is WAGHMUZCMSWONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-14(4-2)15(9-7-8-12-19)17-13-20-18-11-6-5-10-16(17)18/h5-6,10-11,13-15,20H,3-4,7-9,12,19H2,1-2H3.
What are the key properties of 6-ethyl-5-(1H-indol-3-yl)octan-1-amine?
6-ethyl-5-(1H-indol-3-yl)octan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(1H-indol-3-yl)octan-1-amine is sourced from PubChem (CID 173349471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).