4-(4-methylindol-1-yl)butan-1-amine

C13H18N2 — CID 43163516

IUPAC4-(4-methylindol-1-yl)butan-1-amine
SMILESCc1cccc2c1ccn2CCCCN
InChIInChI=1S/C13H18N2/c1-11-5-4-6-13-12(11)7-10-15(13)9-3-2-8-14/h4-7,10H,2-3,8-9,14H2,1H3
InChIKeySSCUQFCWCVMSCG-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.69
Rot. Bonds4

About 4-(4-methylindol-1-yl)butan-1-amine

4-(4-methylindol-1-yl)butan-1-amine (PubChem CID 43163516) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(4-methylindol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylindol-1-yl)butan-1-amine
PubChem CID43163516
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-(4-methylindol-1-yl)butan-1-amine
SMILESCc1cccc2c1ccn2CCCCN
InChIInChI=1S/C13H18N2/c1-11-5-4-6-13-12(11)7-10-15(13)9-3-2-8-14/h4-7,10H,2-3,8-9,14H2,1H3
InChIKeySSCUQFCWCVMSCG-UHFFFAOYSA-N
XLogP2.69
TPSA30.95 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylindol-1-yl)butan-1-amine?
The IUPAC name of 4-(4-methylindol-1-yl)butan-1-amine (CID 43163516) is 4-(4-methylindol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-methylindol-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-methylindol-1-yl)butan-1-amine is Cc1cccc2c1ccn2CCCCN.
What is the InChIKey of 4-(4-methylindol-1-yl)butan-1-amine?
The InChIKey is SSCUQFCWCVMSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-11-5-4-6-13-12(11)7-10-15(13)9-3-2-8-14/h4-7,10H,2-3,8-9,14H2,1H3.
What are the key properties of 4-(4-methylindol-1-yl)butan-1-amine?
4-(4-methylindol-1-yl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylindol-1-yl)butan-1-amine is sourced from PubChem (CID 43163516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).