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

C19H37N3 — CID 68721313

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane
SMILESC1CCC(N2CCCCN2)CC1.C1CCC2NCCCC2C1
InChIInChI=1S/C10H20N2.C9H17N/c1-2-6-10(7-3-1)12-9-5-4-8-11-12;1-2-6-9-8(4-1)5-3-7-10-9/h10-11H,1-9H2;8-10H,1-7H2
InChIKeyRQIQTGJVQUUTDR-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.85
Rot. Bonds1

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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane (PubChem CID 68721313) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane
PubChem CID68721313
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane
SMILESC1CCC(N2CCCCN2)CC1.C1CCC2NCCCC2C1
InChIInChI=1S/C10H20N2.C9H17N/c1-2-6-10(7-3-1)12-9-5-4-8-11-12;1-2-6-9-8(4-1)5-3-7-10-9/h10-11H,1-9H2;8-10H,1-7H2
InChIKeyRQIQTGJVQUUTDR-UHFFFAOYSA-N
XLogP3.85
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
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;1-cyclohexyldiazinane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane (CID 68721313) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane is C1CCC(N2CCCCN2)CC1.C1CCC2NCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane?
The InChIKey is RQIQTGJVQUUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H17N/c1-2-6-10(7-3-1)12-9-5-4-8-11-12;1-2-6-9-8(4-1)5-3-7-10-9/h10-11H,1-9H2;8-10H,1-7H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;1-cyclohexyldiazinane has a molecular weight of 307.53 g/mol, XLogP of 3.85, 1 rotatable bonds, 2 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;1-cyclohexyldiazinane is sourced from PubChem (CID 68721313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).