1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine

C20H33N3 — CID 167085227

IUPAC1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine
SMILESCC1=CC(N)=C2C=CC=CC2N1CCCCCCCCCCN
InChIInChI=1S/C20H33N3/c1-17-16-19(22)18-12-8-9-13-20(18)23(17)15-11-7-5-3-2-4-6-10-14-21/h8-9,12-13,16,20H,2-7,10-11,14-15,21-22H2,1H3
InChIKeyXNXNPWRKGIGGPQ-UHFFFAOYSA-N
MW315.51 g/mol
LogP3.99
Rot. Bonds10

About 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine

1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine (PubChem CID 167085227) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine.

Molecular Properties

Compound Name1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine
PubChem CID167085227
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Name1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine
SMILESCC1=CC(N)=C2C=CC=CC2N1CCCCCCCCCCN
InChIInChI=1S/C20H33N3/c1-17-16-19(22)18-12-8-9-13-20(18)23(17)15-11-7-5-3-2-4-6-10-14-21/h8-9,12-13,16,20H,2-7,10-11,14-15,21-22H2,1H3
InChIKeyXNXNPWRKGIGGPQ-UHFFFAOYSA-N
XLogP3.99
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine?
The IUPAC name of 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine (CID 167085227) is 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine.
What is the SMILES notation for 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine?
The canonical SMILES for 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine is CC1=CC(N)=C2C=CC=CC2N1CCCCCCCCCCN.
What is the InChIKey of 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine?
The InChIKey is XNXNPWRKGIGGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-17-16-19(22)18-12-8-9-13-20(18)23(17)15-11-7-5-3-2-4-6-10-14-21/h8-9,12-13,16,20H,2-7,10-11,14-15,21-22H2,1H3.
What are the key properties of 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine?
1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine has a molecular weight of 315.51 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-aminodecyl)-2-methyl-8aH-quinolin-4-amine is sourced from PubChem (CID 167085227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).