N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine

C20H40N2O — CID 13205805

IUPACN-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCON=C1CCCCCCCCCCC1)C(C)C
InChIInChI=1S/C20H40N2O/c1-18(2)22(19(3)4)16-17-23-21-20-14-12-10-8-6-5-7-9-11-13-15-20/h18-19H,5-17H2,1-4H3
InChIKeyIRSNFALUAOOYBR-UHFFFAOYSA-N
MW324.55 g/mol
LogP5.78
Rot. Bonds6

About N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine

N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 13205805) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID13205805
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC NameN-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCON=C1CCCCCCCCCCC1)C(C)C
InChIInChI=1S/C20H40N2O/c1-18(2)22(19(3)4)16-17-23-21-20-14-12-10-8-6-5-7-9-11-13-15-20/h18-19H,5-17H2,1-4H3
InChIKeyIRSNFALUAOOYBR-UHFFFAOYSA-N
XLogP5.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine (CID 13205805) is N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCON=C1CCCCCCCCCCC1)C(C)C.
What is the InChIKey of N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is IRSNFALUAOOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-18(2)22(19(3)4)16-17-23-21-20-14-12-10-8-6-5-7-9-11-13-15-20/h18-19H,5-17H2,1-4H3.
What are the key properties of N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 324.55 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 13205805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).