[1-(2-cyclopropylethyl)indol-4-yl]methanamine

C14H18N2 — CID 107919256

IUPAC[1-(2-cyclopropylethyl)indol-4-yl]methanamine
SMILESNCc1cccc2c1ccn2CCC1CC1
InChIInChI=1S/C14H18N2/c15-10-12-2-1-3-14-13(12)7-9-16(14)8-6-11-4-5-11/h1-3,7,9,11H,4-6,8,10,15H2
InChIKeyKCALDLYFOKSMRQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.90
Rot. Bonds4

About [1-(2-cyclopropylethyl)indol-4-yl]methanamine

[1-(2-cyclopropylethyl)indol-4-yl]methanamine (PubChem CID 107919256) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-(2-cyclopropylethyl)indol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopropylethyl)indol-4-yl]methanamine
PubChem CID107919256
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[1-(2-cyclopropylethyl)indol-4-yl]methanamine
SMILESNCc1cccc2c1ccn2CCC1CC1
InChIInChI=1S/C14H18N2/c15-10-12-2-1-3-14-13(12)7-9-16(14)8-6-11-4-5-11/h1-3,7,9,11H,4-6,8,10,15H2
InChIKeyKCALDLYFOKSMRQ-UHFFFAOYSA-N
XLogP2.90
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropylethyl)indol-4-yl]methanamine?
The IUPAC name of [1-(2-cyclopropylethyl)indol-4-yl]methanamine (CID 107919256) is [1-(2-cyclopropylethyl)indol-4-yl]methanamine.
What is the SMILES notation for [1-(2-cyclopropylethyl)indol-4-yl]methanamine?
The canonical SMILES for [1-(2-cyclopropylethyl)indol-4-yl]methanamine is NCc1cccc2c1ccn2CCC1CC1.
What is the InChIKey of [1-(2-cyclopropylethyl)indol-4-yl]methanamine?
The InChIKey is KCALDLYFOKSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c15-10-12-2-1-3-14-13(12)7-9-16(14)8-6-11-4-5-11/h1-3,7,9,11H,4-6,8,10,15H2.
What are the key properties of [1-(2-cyclopropylethyl)indol-4-yl]methanamine?
[1-(2-cyclopropylethyl)indol-4-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropylethyl)indol-4-yl]methanamine is sourced from PubChem (CID 107919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).