5-(7-methoxy-1H-indol-3-yl)pentan-1-amine

C14H20N2O — CID 96598611

IUPAC5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
SMILESCOc1cccc2c(CCCCCN)c[nH]c12
InChIInChI=1S/C14H20N2O/c1-17-13-8-5-7-12-11(10-16-14(12)13)6-3-2-4-9-15/h5,7-8,10,16H,2-4,6,9,15H2,1H3
InChIKeyVUVQOJBGLMXVFO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.85
Rot. Bonds6

About 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine

5-(7-methoxy-1H-indol-3-yl)pentan-1-amine (PubChem CID 96598611) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
PubChem CID96598611
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(7-methoxy-1H-indol-3-yl)pentan-1-amine
SMILESCOc1cccc2c(CCCCCN)c[nH]c12
InChIInChI=1S/C14H20N2O/c1-17-13-8-5-7-12-11(10-16-14(12)13)6-3-2-4-9-15/h5,7-8,10,16H,2-4,6,9,15H2,1H3
InChIKeyVUVQOJBGLMXVFO-UHFFFAOYSA-N
XLogP2.85
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-(7-methoxy-1H-indol-3-yl)hexadecan-1-ol
CID 11429148
3-(7-ethoxy-1H-indol-3-yl)propan-1-amine
CID 82374015
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
4-(8-methoxyquinolin-4-yl)butan-1-amine
CID 10609508
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
CID 169222305
2-amino-3-(7-methoxy-1H-indol-3-yl)propanoic acid;ethane
CID 145142398
3-[7-(trifluoromethyl)-1H-indol-3-yl]propan-1-amine
CID 5135495
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
3-(benzenesulfonylmethyl)-7-methoxy-1H-indole
CID 146164758
N-tert-butyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110855362

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine?
The IUPAC name of 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine (CID 96598611) is 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine.
What is the SMILES notation for 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine?
The canonical SMILES for 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine is COc1cccc2c(CCCCCN)c[nH]c12.
What is the InChIKey of 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine?
The InChIKey is VUVQOJBGLMXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-17-13-8-5-7-12-11(10-16-14(12)13)6-3-2-4-9-15/h5,7-8,10,16H,2-4,6,9,15H2,1H3.
What are the key properties of 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine?
5-(7-methoxy-1H-indol-3-yl)pentan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1H-indol-3-yl)pentan-1-amine is sourced from PubChem (CID 96598611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).