1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine

C19H39N3O — CID 70872583

IUPAC1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine
SMILESNCCCCCC(NCCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H39N3O/c20-11-6-2-5-10-19(18-8-3-1-4-9-18)21-12-7-13-22-14-16-23-17-15-22/h18-19,21H,1-17,20H2
InChIKeyQFZFIJYBLGPKCN-UHFFFAOYSA-N
MW325.54 g/mol
LogP2.77
Rot. Bonds11

About 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine

1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine (PubChem CID 70872583) has the molecular formula C19H39N3O and a molecular weight of 325.54 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine
PubChem CID70872583
Molecular FormulaC19H39N3O
Molecular Weight325.54 g/mol
Exact Mass325.31
IUPAC Name1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine
SMILESNCCCCCC(NCCCN1CCOCC1)C1CCCCC1
InChIInChI=1S/C19H39N3O/c20-11-6-2-5-10-19(18-8-3-1-4-9-18)21-12-7-13-22-14-16-23-17-15-22/h18-19,21H,1-17,20H2
InChIKeyQFZFIJYBLGPKCN-UHFFFAOYSA-N
XLogP2.77
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine?
The IUPAC name of 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine (CID 70872583) is 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine?
The canonical SMILES for 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine is NCCCCCC(NCCCN1CCOCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine?
The InChIKey is QFZFIJYBLGPKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O/c20-11-6-2-5-10-19(18-8-3-1-4-9-18)21-12-7-13-22-14-16-23-17-15-22/h18-19,21H,1-17,20H2.
What are the key properties of 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine?
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine has a molecular weight of 325.54 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-morpholin-4-ylpropyl)hexane-1,6-diamine is sourced from PubChem (CID 70872583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).