2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine

C32H67N3O — CID 167191500

IUPAC2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine
SMILESCCCCCCCCNC[C@@H]1CN(CCCN(C)CC(C)(CCCCCC)CCCCCC)CCO1
InChIInChI=1S/C32H67N3O/c1-6-9-12-15-16-19-23-33-28-31-29-35(26-27-36-31)25-20-24-34(5)30-32(4,21-17-13-10-7-2)22-18-14-11-8-3/h31,33H,6-30H2,1-5H3/t31-/m1/s1
InChIKeyOLNRZNOJSLKYSN-WJOKGBTCSA-N
MW509.91 g/mol
LogP7.91
Rot. Bonds25

About 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine

2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine (PubChem CID 167191500) has the molecular formula C32H67N3O and a molecular weight of 509.91 g/mol. Its IUPAC name is 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine.

Molecular Properties

Compound Name2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine
PubChem CID167191500
Molecular FormulaC32H67N3O
Molecular Weight509.91 g/mol
Exact Mass509.53
IUPAC Name2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine
SMILESCCCCCCCCNC[C@@H]1CN(CCCN(C)CC(C)(CCCCCC)CCCCCC)CCO1
InChIInChI=1S/C32H67N3O/c1-6-9-12-15-16-19-23-33-28-31-29-35(26-27-36-31)25-20-24-34(5)30-32(4,21-17-13-10-7-2)22-18-14-11-8-3/h31,33H,6-30H2,1-5H3/t31-/m1/s1
InChIKeyOLNRZNOJSLKYSN-WJOKGBTCSA-N
XLogP7.91
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.91
LogP ≤ 57.91
H-Bond Donors ≤ 51
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 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine?
The IUPAC name of 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine (CID 167191500) is 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine.
What is the SMILES notation for 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine?
The canonical SMILES for 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine is CCCCCCCCNC[C@@H]1CN(CCCN(C)CC(C)(CCCCCC)CCCCCC)CCO1.
What is the InChIKey of 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine?
The InChIKey is OLNRZNOJSLKYSN-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H67N3O/c1-6-9-12-15-16-19-23-33-28-31-29-35(26-27-36-31)25-20-24-34(5)30-32(4,21-17-13-10-7-2)22-18-14-11-8-3/h31,33H,6-30H2,1-5H3/t31-/m1/s1.
What are the key properties of 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine?
2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine has a molecular weight of 509.91 g/mol, XLogP of 7.91, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N,2-dimethyl-N-[3-[(2R)-2-[(octylamino)methyl]morpholin-4-yl]propyl]octan-1-amine is sourced from PubChem (CID 167191500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).