1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine

C9H19N3 — CID 163165908

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
SMILESNC1CNC2CCCCC2C1N
InChIInChI=1S/C9H19N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h6-9,12H,1-5,10-11H2
InChIKeyWULMCFZIEVDDIG-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.20
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine (PubChem CID 163165908) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
PubChem CID163165908
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine
SMILESNC1CNC2CCCCC2C1N
InChIInChI=1S/C9H19N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h6-9,12H,1-5,10-11H2
InChIKeyWULMCFZIEVDDIG-UHFFFAOYSA-N
XLogP-0.20
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine (CID 163165908) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine is NC1CNC2CCCCC2C1N.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine?
The InChIKey is WULMCFZIEVDDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h6-9,12H,1-5,10-11H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine has a molecular weight of 169.27 g/mol, XLogP of -0.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3,4-diamine is sourced from PubChem (CID 163165908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).