1,2,3,4,4a,5-hexahydroquinoline;methanamine

C10H18N2 — CID 67684576

IUPAC1,2,3,4,4a,5-hexahydroquinoline;methanamine
SMILESC1=CCC2CCCNC2=C1.CN
InChIInChI=1S/C9H13N.CH5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,6,8,10H,3-5,7H2;2H2,1H3
InChIKeyHKALDTVKFJRHTL-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds

About 1,2,3,4,4a,5-hexahydroquinoline;methanamine

1,2,3,4,4a,5-hexahydroquinoline;methanamine (PubChem CID 67684576) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydroquinoline;methanamine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydroquinoline;methanamine
PubChem CID67684576
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,2,3,4,4a,5-hexahydroquinoline;methanamine
SMILESC1=CCC2CCCNC2=C1.CN
InChIInChI=1S/C9H13N.CH5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,6,8,10H,3-5,7H2;2H2,1H3
InChIKeyHKALDTVKFJRHTL-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydroquinoline;methanamine?
The IUPAC name of 1,2,3,4,4a,5-hexahydroquinoline;methanamine (CID 67684576) is 1,2,3,4,4a,5-hexahydroquinoline;methanamine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydroquinoline;methanamine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydroquinoline;methanamine is C1=CCC2CCCNC2=C1.CN.
What is the InChIKey of 1,2,3,4,4a,5-hexahydroquinoline;methanamine?
The InChIKey is HKALDTVKFJRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.CH5N/c1-2-6-9-8(4-1)5-3-7-10-9;1-2/h1-2,6,8,10H,3-5,7H2;2H2,1H3.
What are the key properties of 1,2,3,4,4a,5-hexahydroquinoline;methanamine?
1,2,3,4,4a,5-hexahydroquinoline;methanamine has a molecular weight of 166.27 g/mol, XLogP of 1.40, 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-hexahydroquinoline;methanamine is sourced from PubChem (CID 67684576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).