(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline

C9H13N — CID 164667482

IUPAC(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC1=C[C@H]2CCCC[C@H]2N=C1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7-9H,1-2,4,6H2/t8-,9-/m1/s1
InChIKeyVKLLNMAAKCWZJB-RKDXNWHRSA-N
MW135.21 g/mol
LogP2.19
Rot. Bonds

About (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline

(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline (PubChem CID 164667482) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
PubChem CID164667482
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline
SMILESC1=C[C@H]2CCCC[C@H]2N=C1
InChIInChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7-9H,1-2,4,6H2/t8-,9-/m1/s1
InChIKeyVKLLNMAAKCWZJB-RKDXNWHRSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
2,3-Diethyl-2,3-dihydropyridine
CID 53814937
4a,5,6,7-Tetrahydroquinoline
CID 77755842
1-Azaspiro[5.5]undeca-1,3-diene
CID 90773483
Cyclohexanespiropyrrole
CID 129871589
(4aR,8aR)-2-methyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 135042631
(4aR)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 138970054
(4aR,8aR)-2-chloro-4a,5,6,7,8,8a-hexahydroquinoline
CID 162398898
(4aR,8aR)-1-oxido-4a,5,6,7,8,8a-hexahydroquinolin-1-ium
CID 162420089
4a,5,6,7,8,8a-Hexahydroquinoline
CID 20587581
N-cyclohexyl-1-[(4Z)-cyclooct-4-en-1-yl]methanimine
CID 23391679
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline?
The IUPAC name of (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline (CID 164667482) is (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline is C1=C[C@H]2CCCC[C@H]2N=C1.
What is the InChIKey of (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline?
The InChIKey is VKLLNMAAKCWZJB-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H13N/c1-2-6-9-8(4-1)5-3-7-10-9/h3,5,7-9H,1-2,4,6H2/t8-,9-/m1/s1.
What are the key properties of (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline?
(4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline has a molecular weight of 135.21 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-4a,5,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 164667482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).