1-decyl-3,4,4a,5-tetrahydro-2H-quinoline

C19H33N — CID 151860733

IUPAC1-decyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCCCCCCCCCN1CCCC2CC=CC=C21
InChIInChI=1S/C19H33N/c1-2-3-4-5-6-7-8-11-16-20-17-12-14-18-13-9-10-15-19(18)20/h9-10,15,18H,2-8,11-14,16-17H2,1H3
InChIKeySKQVLXCMIRXDFK-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.68
Rot. Bonds9

About 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline

1-decyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 151860733) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-decyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID151860733
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-decyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESCCCCCCCCCCN1CCCC2CC=CC=C21
InChIInChI=1S/C19H33N/c1-2-3-4-5-6-7-8-11-16-20-17-12-14-18-13-9-10-15-19(18)20/h9-10,15,18H,2-8,11-14,16-17H2,1H3
InChIKeySKQVLXCMIRXDFK-UHFFFAOYSA-N
XLogP5.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 70628816
1,3-dipropyl-2,4,4a,5-tetrahydroquinazoline
CID 175608763
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 70604856
2-hexadecanoyl-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 141007472
1-nonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336060
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
2-methylidene-1-nonylpyrrolidine
CID 70210485
7,12,22,27-tetrapentyl-2,17-dioxa-7,12,22,27-tetrazapentacyclo[26.2.2.23,6.213,16.218,21]octatriaconta-1(30),3(38),4,6(37),13(36),14,16(35),18,20,28,31,33-dodecaene
CID 101121234
N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide
CID 56643327
1-heptylazetidine
CID 134402356

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 151860733) is 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline is CCCCCCCCCCN1CCCC2CC=CC=C21.
What is the InChIKey of 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is SKQVLXCMIRXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-2-3-4-5-6-7-8-11-16-20-17-12-14-18-13-9-10-15-19(18)20/h9-10,15,18H,2-8,11-14,16-17H2,1H3.
What are the key properties of 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline?
1-decyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 275.48 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 151860733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).