1,2,3,4,4a,5-hexahydroquinolin-5-amine

C9H14N2 — CID 154392905

IUPAC1,2,3,4,4a,5-hexahydroquinolin-5-amine
SMILESNC1C=CC=C2NCCCC21
InChIInChI=1S/C9H14N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,7-8,11H,2-3,6,10H2
InChIKeyAUJMANGETPMDCF-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.77
Rot. Bonds

About 1,2,3,4,4a,5-hexahydroquinolin-5-amine

1,2,3,4,4a,5-hexahydroquinolin-5-amine (PubChem CID 154392905) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydroquinolin-5-amine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydroquinolin-5-amine
PubChem CID154392905
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,2,3,4,4a,5-hexahydroquinolin-5-amine
SMILESNC1C=CC=C2NCCCC21
InChIInChI=1S/C9H14N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,7-8,11H,2-3,6,10H2
InChIKeyAUJMANGETPMDCF-UHFFFAOYSA-N
XLogP0.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1,2,3,4,4a,5-hexahydroquinoline-5-carboxylate
CID 174606260
8-azatricyclo[5.4.0.02,6]undeca-2,4,6-triene
CID 130136162
1,2,3,4,4a,5-hexahydroquinoline-4-carboxylic acid
CID 67358150
trans-(3R,9R)-3,9-diamino-1,7-diazacyclododecane-2,8-dione
CID 101477400
1,2,3,3a,4,5-hexahydropyrrolo[3,2-b]azepine
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(4R)-4-aminoazepan-2-one
CID 18648126
3-(3-amino-1,2,4-triazol-1-yl)piperidin-2-one
CID 165473824
2,6-di(cyclooctyl)-1,2-dihydropyridine
CID 173279074
5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one
CID 55286079
(3S)-3-cyclohexylpiperidin-2-one
CID 124514859
6-[6-(4,6-diamino-1,3,5-triazinan-2-yl)-1,2-dihydropyridin-2-yl]-1,3,5-triazinane-2,4-diamine
CID 5246723
2,3,4,5,5a,6-hexahydro-1H-1-benzazepin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydroquinolin-5-amine?
The IUPAC name of 1,2,3,4,4a,5-hexahydroquinolin-5-amine (CID 154392905) is 1,2,3,4,4a,5-hexahydroquinolin-5-amine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydroquinolin-5-amine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydroquinolin-5-amine is NC1C=CC=C2NCCCC21.
What is the InChIKey of 1,2,3,4,4a,5-hexahydroquinolin-5-amine?
The InChIKey is AUJMANGETPMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5,7-8,11H,2-3,6,10H2.
What are the key properties of 1,2,3,4,4a,5-hexahydroquinolin-5-amine?
1,2,3,4,4a,5-hexahydroquinolin-5-amine has a molecular weight of 150.22 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydroquinolin-5-amine is sourced from PubChem (CID 154392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).