N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine

C22H45NO2 — CID 150346184

IUPACN-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine
SMILESCCCCCCCCC(CNC1CCCCC1)C(C)(OCC)OCC
InChIInChI=1S/C22H45NO2/c1-5-8-9-10-11-13-16-20(22(4,24-6-2)25-7-3)19-23-21-17-14-12-15-18-21/h20-21,23H,5-19H2,1-4H3
InChIKeyGSTLZIVLECWVMP-UHFFFAOYSA-N
MW355.61 g/mol
LogP6.06
Rot. Bonds15

About N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine

N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine (PubChem CID 150346184) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine
PubChem CID150346184
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine
SMILESCCCCCCCCC(CNC1CCCCC1)C(C)(OCC)OCC
InChIInChI=1S/C22H45NO2/c1-5-8-9-10-11-13-16-20(22(4,24-6-2)25-7-3)19-23-21-17-14-12-15-18-21/h20-21,23H,5-19H2,1-4H3
InChIKeyGSTLZIVLECWVMP-UHFFFAOYSA-N
XLogP6.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine?
The IUPAC name of N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine (CID 150346184) is N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine?
The canonical SMILES for N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine is CCCCCCCCC(CNC1CCCCC1)C(C)(OCC)OCC.
What is the InChIKey of N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine?
The InChIKey is GSTLZIVLECWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-5-8-9-10-11-13-16-20(22(4,24-6-2)25-7-3)19-23-21-17-14-12-15-18-21/h20-21,23H,5-19H2,1-4H3.
What are the key properties of N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine?
N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine has a molecular weight of 355.61 g/mol, XLogP of 6.06, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-diethoxyethyl)decyl]cyclohexanamine is sourced from PubChem (CID 150346184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).