3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine

C14H18N2O — CID 102909372

IUPAC3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O/c1-2-17-9-3-7-15-11-12-4-5-13-6-8-16-14(13)10-12/h2,4-6,8,10,15-16H,1,3,7,9,11H2
InChIKeyJYWMPNQQYSOFPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.81
Rot. Bonds7

About 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine

3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine (PubChem CID 102909372) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
PubChem CID102909372
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine
SMILESC=COCCCNCc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H18N2O/c1-2-17-9-3-7-15-11-12-4-5-13-6-8-16-14(13)10-12/h2,4-6,8,10,15-16H,1,3,7,9,11H2
InChIKeyJYWMPNQQYSOFPG-UHFFFAOYSA-N
XLogP2.81
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
3-ethenoxy-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 4789471
N-benzyl-3-ethenoxypropan-1-amine
CID 43183138
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-(1H-indol-6-ylmethyl)-2-phenylsulfanylethanamine
CID 102910230
2-(cyclopenten-1-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 106168823
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
2,2-dicyclopropyl-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911260
3-ethenoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 28726433
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
N-[(4-bromo-3-nitrophenyl)methyl]-3-ethenoxypropan-1-amine
CID 43223136

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine?
The IUPAC name of 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine (CID 102909372) is 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine?
The canonical SMILES for 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine is C=COCCCNCc1ccc2cc[nH]c2c1.
What is the InChIKey of 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine?
The InChIKey is JYWMPNQQYSOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-17-9-3-7-15-11-12-4-5-13-6-8-16-14(13)10-12/h2,4-6,8,10,15-16H,1,3,7,9,11H2.
What are the key properties of 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine?
3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-N-(1H-indol-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 102909372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).