1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine

C14H21N3 — CID 117173982

IUPAC1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
SMILESCCn1c(CNC(C)C)cc2c(N)cccc21
InChIInChI=1S/C14H21N3/c1-4-17-11(9-16-10(2)3)8-12-13(15)6-5-7-14(12)17/h5-8,10,16H,4,9,15H2,1-3H3
InChIKeyXCQLVOYRSHGLGV-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.74
Rot. Bonds4

About 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine

1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine (PubChem CID 117173982) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine.

Molecular Properties

Compound Name1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
PubChem CID117173982
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
SMILESCCn1c(CNC(C)C)cc2c(N)cccc21
InChIInChI=1S/C14H21N3/c1-4-17-11(9-16-10(2)3)8-12-13(15)6-5-7-14(12)17/h5-8,10,16H,4,9,15H2,1-3H3
InChIKeyXCQLVOYRSHGLGV-UHFFFAOYSA-N
XLogP2.74
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine?
The IUPAC name of 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine (CID 117173982) is 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine.
What is the SMILES notation for 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine?
The canonical SMILES for 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine is CCn1c(CNC(C)C)cc2c(N)cccc21.
What is the InChIKey of 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine?
The InChIKey is XCQLVOYRSHGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-17-11(9-16-10(2)3)8-12-13(15)6-5-7-14(12)17/h5-8,10,16H,4,9,15H2,1-3H3.
What are the key properties of 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine?
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine is sourced from PubChem (CID 117173982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).