N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine

C16H19ClN2 — CID 127036932

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
InChIKeyXRJGWSMTLAFHBN-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 127036932) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID127036932
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
InChIKeyXRJGWSMTLAFHBN-UHFFFAOYSA-N
XLogP4.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 127036932) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is XRJGWSMTLAFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2.
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 274.80 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 127036932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).