1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine

C16H26N2 — CID 114201164

IUPAC1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
SMILESCC(C)CC(C)CN1CCCc2cccc(N)c21
InChIInChI=1S/C16H26N2/c1-12(2)10-13(3)11-18-9-5-7-14-6-4-8-15(17)16(14)18/h4,6,8,12-13H,5,7,9-11,17H2,1-3H3
InChIKeyRKPDUXXZGIHOAX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.70
Rot. Bonds4

About 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine

1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine (PubChem CID 114201164) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine.

Molecular Properties

Compound Name1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
PubChem CID114201164
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine
SMILESCC(C)CC(C)CN1CCCc2cccc(N)c21
InChIInChI=1S/C16H26N2/c1-12(2)10-13(3)11-18-9-5-7-14-6-4-8-15(17)16(14)18/h4,6,8,12-13H,5,7,9-11,17H2,1-3H3
InChIKeyRKPDUXXZGIHOAX-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3,4-dihydro-2H-quinolin-8-amine
CID 63462485
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 65444601
1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
CID 61485896
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine?
The IUPAC name of 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine (CID 114201164) is 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine.
What is the SMILES notation for 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine?
The canonical SMILES for 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine is CC(C)CC(C)CN1CCCc2cccc(N)c21.
What is the InChIKey of 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine?
The InChIKey is RKPDUXXZGIHOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)10-13(3)11-18-9-5-7-14-6-4-8-15(17)16(14)18/h4,6,8,12-13H,5,7,9-11,17H2,1-3H3.
What are the key properties of 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine?
1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine has a molecular weight of 246.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentyl)-3,4-dihydro-2H-quinolin-8-amine is sourced from PubChem (CID 114201164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).