4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine

C26H54N2O — CID 67808161

IUPAC4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine
SMILESCCCCCCCCCCCCCCNC1(C)OCCN(CCCCCC)C1C
InChIInChI=1S/C26H54N2O/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-27-26(4)25(3)28(23-24-29-26)22-20-10-8-6-2/h25,27H,5-24H2,1-4H3
InChIKeyIDINXUIQBZCLPI-UHFFFAOYSA-N
MW410.73 g/mol
LogP7.29
Rot. Bonds19

About 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine

4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine (PubChem CID 67808161) has the molecular formula C26H54N2O and a molecular weight of 410.73 g/mol. Its IUPAC name is 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine.

Molecular Properties

Compound Name4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine
PubChem CID67808161
Molecular FormulaC26H54N2O
Molecular Weight410.73 g/mol
Exact Mass410.42
IUPAC Name4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine
SMILESCCCCCCCCCCCCCCNC1(C)OCCN(CCCCCC)C1C
InChIInChI=1S/C26H54N2O/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-27-26(4)25(3)28(23-24-29-26)22-20-10-8-6-2/h25,27H,5-24H2,1-4H3
InChIKeyIDINXUIQBZCLPI-UHFFFAOYSA-N
XLogP7.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.73
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-heptyl-2-methylpyrrolidine;methanesulfonic acid
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CID 62421385
2,3-dimethyl-N-pentylaziridin-2-amine
CID 143351651
N-[(4-nonylmorpholin-3-yl)methyl]propan-2-amine
CID 83100021
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651
4-hexylmorpholine-3-carboxamide
CID 174697838
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62448418

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine?
The IUPAC name of 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine (CID 67808161) is 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine.
What is the SMILES notation for 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine?
The canonical SMILES for 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine is CCCCCCCCCCCCCCNC1(C)OCCN(CCCCCC)C1C.
What is the InChIKey of 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine?
The InChIKey is IDINXUIQBZCLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N2O/c1-5-7-9-11-12-13-14-15-16-17-18-19-21-27-26(4)25(3)28(23-24-29-26)22-20-10-8-6-2/h25,27H,5-24H2,1-4H3.
What are the key properties of 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine?
4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine has a molecular weight of 410.73 g/mol, XLogP of 7.29, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,3-dimethyl-N-tetradecylmorpholin-2-amine is sourced from PubChem (CID 67808161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).