N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine

C16H24N2 — CID 102662677

IUPACN-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
SMILESC=CCN1CCc2cc(C(C)NCCC)ccc21
InChIInChI=1S/C16H24N2/c1-4-9-17-13(3)14-6-7-16-15(12-14)8-11-18(16)10-5-2/h5-7,12-13,17H,2,4,8-11H2,1,3H3
InChIKeyXAIKBLWPASEGQB-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.30
Rot. Bonds6

About N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine

N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine (PubChem CID 102662677) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
PubChem CID102662677
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
SMILESC=CCN1CCc2cc(C(C)NCCC)ccc21
InChIInChI=1S/C16H24N2/c1-4-9-17-13(3)14-6-7-16-15(12-14)8-11-18(16)10-5-2/h5-7,12-13,17H,2,4,8-11H2,1,3H3
InChIKeyXAIKBLWPASEGQB-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102661838
N-[1-[1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-6-yl]ethyl]propan-1-amine
CID 107899433
2-methyl-4-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661865
5-[5-[1-(propylamino)ethyl]-2,3-dihydroindol-1-yl]pentan-1-ol
CID 102661847
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
N-ethyl-2-[5-[1-(ethylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661757
N-[1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 102661391
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
1-prop-2-enyl-2,3-dihydroindol-5-ol
CID 175212901
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
5-[1-(ethylamino)ethyl]-N-propyl-2,3-dihydroindole-1-sulfonamide
CID 102661387

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine (CID 102662677) is N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine is C=CCN1CCc2cc(C(C)NCCC)ccc21.
What is the InChIKey of N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
The InChIKey is XAIKBLWPASEGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-9-17-13(3)14-6-7-16-15(12-14)8-11-18(16)10-5-2/h5-7,12-13,17H,2,4,8-11H2,1,3H3.
What are the key properties of N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine?
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102662677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).