N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine

C21H34N2 — CID 90025073

IUPACN,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
SMILESCCCCCCCCC(c1c[nH]c2ccccc12)N(CC)CC
InChIInChI=1S/C21H34N2/c1-4-7-8-9-10-11-16-21(23(5-2)6-3)19-17-22-20-15-13-12-14-18(19)20/h12-15,17,21-22H,4-11,16H2,1-3H3
InChIKeyJIGNQWVUQJWOKA-UHFFFAOYSA-N
MW314.52 g/mol
LogP6.30
Rot. Bonds11

About N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine

N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine (PubChem CID 90025073) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
PubChem CID90025073
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
SMILESCCCCCCCCC(c1c[nH]c2ccccc12)N(CC)CC
InChIInChI=1S/C21H34N2/c1-4-7-8-9-10-11-16-21(23(5-2)6-3)19-17-22-20-15-13-12-14-18(19)20/h12-15,17,21-22H,4-11,16H2,1-3H3
InChIKeyJIGNQWVUQJWOKA-UHFFFAOYSA-N
XLogP6.30
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
N,N-diethyl-1-phenyltridecan-1-amine;hydrochloride
CID 173104613
N,N-diethyl-1-phenylnonan-1-amine;hydrobromide
CID 175211011
N,N-diethyl-1-phenyltetradecan-1-amine;hydrobromide
CID 175213976
chloro 3-(1H-indol-3-yl)octanoate
CID 175312008
3-(2-ethyloctyl)-1H-indole
CID 126495753
5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
4-octan-2-yl-1H-indole
CID 130223302
3-[(2R)-1-nitrohexan-2-yl]-1H-indole
CID 134964800
3-heptyl-1H-indole
CID 15360907
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine?
The IUPAC name of N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine (CID 90025073) is N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine.
What is the SMILES notation for N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine?
The canonical SMILES for N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine is CCCCCCCCC(c1c[nH]c2ccccc12)N(CC)CC.
What is the InChIKey of N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine?
The InChIKey is JIGNQWVUQJWOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-4-7-8-9-10-11-16-21(23(5-2)6-3)19-17-22-20-15-13-12-14-18(19)20/h12-15,17,21-22H,4-11,16H2,1-3H3.
What are the key properties of N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine?
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine has a molecular weight of 314.52 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine is sourced from PubChem (CID 90025073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).