cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)

C26H59N5O — CID 158403115

IUPACcyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.C1COCCN1.CCCCCCN.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H15N.2C5H11N.C4H9NO/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h6H,1-5,7H2;2-7H2,1H3;2*6H,1-5H2;5H,1-4H2
InChIKeyGYIQRQKTNJQONH-UHFFFAOYSA-N
MW457.79 g/mol
LogP3.93
Rot. Bonds4

About cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)

cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine) (PubChem CID 158403115) has the molecular formula C26H59N5O and a molecular weight of 457.79 g/mol. Its IUPAC name is cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine).

Molecular Properties

Compound Namecyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)
PubChem CID158403115
Molecular FormulaC26H59N5O
Molecular Weight457.79 g/mol
Exact Mass457.47
IUPAC Namecyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.C1COCCN1.CCCCCCN.NC1CCCCC1
InChIInChI=1S/C6H13N.C6H15N.2C5H11N.C4H9NO/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h6H,1-5,7H2;2-7H2,1H3;2*6H,1-5H2;5H,1-4H2
InChIKeyGYIQRQKTNJQONH-UHFFFAOYSA-N
XLogP3.93
TPSA97.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.79
LogP ≤ 53.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

decan-1-amine;morpholine
CID 174736871
morpholine;piperidine;propane
CID 144636316
pentane-1,5-diamine;piperidine
CID 21486306
cyclopropanamine;morpholine
CID 174846100
cyclohexanamine;morpholine;phosphoric acid
CID 174919077
N-cyclohexylcyclohexanamine;hexan-1-amine
CID 158809778
heptan-1-amine;4-methylcyclohexan-1-amine
CID 157323652
butylcyclohexane;pyrrolidine
CID 145242408
1-bromotridecane;morpholine
CID 174895242
cyclohexane;pentan-1-amine
CID 67995993
4-pentylazecane
CID 166829392
cyclopentanamine;ethane;2-methylpropane;piperidine
CID 143306157

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)?
The IUPAC name of cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine) (CID 158403115) is cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine).
What is the SMILES notation for cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)?
The canonical SMILES for cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine) is C1CCNCC1.C1CCNCC1.C1COCCN1.CCCCCCN.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)?
The InChIKey is GYIQRQKTNJQONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H15N.2C5H11N.C4H9NO/c7-6-4-2-1-3-5-6;1-2-3-4-5-6-7;2*1-2-4-6-5-3-1;1-3-6-4-2-5-1/h6H,1-5,7H2;2-7H2,1H3;2*6H,1-5H2;5H,1-4H2.
What are the key properties of cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine)?
cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine) has a molecular weight of 457.79 g/mol, XLogP of 3.93, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;hexan-1-amine;morpholine;bis(piperidine) is sourced from PubChem (CID 158403115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).