N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine

C13H18N2 — CID 62070317

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2/c1-3-7-14-10-11-4-5-13-12(9-11)6-8-15(13)2/h3-5,9,14H,1,6-8,10H2,2H3
InChIKeyMQBLPDBTPKXVJC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.95
Rot. Bonds4

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine (PubChem CID 62070317) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
PubChem CID62070317
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
SMILESC=CCNCc1ccc2c(c1)CCN2C
InChIInChI=1S/C13H18N2/c1-3-7-14-10-11-4-5-13-12(9-11)6-8-15(13)2/h3-5,9,14H,1,6-8,10H2,2H3
InChIKeyMQBLPDBTPKXVJC-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.95
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine (CID 62070317) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine is C=CCNCc1ccc2c(c1)CCN2C.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
The InChIKey is MQBLPDBTPKXVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-7-14-10-11-4-5-13-12(9-11)6-8-15(13)2/h3-5,9,14H,1,6-8,10H2,2H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).