N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine

C16H23FN2 — CID 141110811

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H23FN2/c1-2-3-4-9-18-10-5-6-13-12-19-16-8-7-14(17)11-15(13)16/h7-8,11-12,18-19H,2-6,9-10H2,1H3
InChIKeyCCBGCFGJKCMKLZ-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.02
Rot. Bonds8

About N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine

N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine (PubChem CID 141110811) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
PubChem CID141110811
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
SMILESCCCCCNCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H23FN2/c1-2-3-4-9-18-10-5-6-13-12-19-16-8-7-14(17)11-15(13)16/h7-8,11-12,18-19H,2-6,9-10H2,1H3
InChIKeyCCBGCFGJKCMKLZ-UHFFFAOYSA-N
XLogP4.02
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.02
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

1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hexylguanidine
CID 111802162
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propylbutan-1-amine
CID 167205055
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
2-(5-fluoro-1H-indol-3-yl)-N-[3-[3-[3-[4-[3-(methylamino)propylamino]butylamino]propylamino]propylamino]propyl]acetamide
CID 54519508
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine (CID 141110811) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine is CCCCCNCCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine?
The InChIKey is CCBGCFGJKCMKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-2-3-4-9-18-10-5-6-13-12-19-16-8-7-14(17)11-15(13)16/h7-8,11-12,18-19H,2-6,9-10H2,1H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine has a molecular weight of 262.37 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine is sourced from PubChem (CID 141110811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).