N-(3-indol-1-ylpropyl)pentan-2-amine

C16H24N2 — CID 43101059

IUPACN-(3-indol-1-ylpropyl)pentan-2-amine
SMILESCCCC(C)NCCCn1ccc2ccccc21
InChIInChI=1S/C16H24N2/c1-3-7-14(2)17-11-6-12-18-13-10-15-8-4-5-9-16(15)18/h4-5,8-10,13-14,17H,3,6-7,11-12H2,1-2H3
InChIKeyQYYCIPPZZYQILR-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.81
Rot. Bonds7

About N-(3-indol-1-ylpropyl)pentan-2-amine

N-(3-indol-1-ylpropyl)pentan-2-amine (PubChem CID 43101059) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)pentan-2-amine.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)pentan-2-amine
PubChem CID43101059
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(3-indol-1-ylpropyl)pentan-2-amine
SMILESCCCC(C)NCCCn1ccc2ccccc21
InChIInChI=1S/C16H24N2/c1-3-7-14(2)17-11-6-12-18-13-10-15-8-4-5-9-16(15)18/h4-5,8-10,13-14,17H,3,6-7,11-12H2,1-2H3
InChIKeyQYYCIPPZZYQILR-UHFFFAOYSA-N
XLogP3.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-1-methoxypropan-2-amine
CID 62534294
1,1-difluoro-N-(3-indol-1-ylpropyl)propan-2-amine
CID 102868118
4-N-(3-indol-1-ylpropyl)-5-methoxypentane-1,4-diamine
CID 103387611
1-butan-2-yl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110944723
1-(3-ethylsulfonylpropyl)indole
CID 65097244
1-indol-1-ylheptan-4-one
CID 142802450
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
acetic acid;1-butylindole
CID 162326365
1-(3,6-dimethylheptyl)indole
CID 57308424
3-indol-1-ylpropan-1-amine
CID 2512786

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)pentan-2-amine?
The IUPAC name of N-(3-indol-1-ylpropyl)pentan-2-amine (CID 43101059) is N-(3-indol-1-ylpropyl)pentan-2-amine.
What is the SMILES notation for N-(3-indol-1-ylpropyl)pentan-2-amine?
The canonical SMILES for N-(3-indol-1-ylpropyl)pentan-2-amine is CCCC(C)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)pentan-2-amine?
The InChIKey is QYYCIPPZZYQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-7-14(2)17-11-6-12-18-13-10-15-8-4-5-9-16(15)18/h4-5,8-10,13-14,17H,3,6-7,11-12H2,1-2H3.
What are the key properties of N-(3-indol-1-ylpropyl)pentan-2-amine?
N-(3-indol-1-ylpropyl)pentan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)pentan-2-amine is sourced from PubChem (CID 43101059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).