N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine

C20H40N2O — CID 20572603

IUPACN-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O/c1-17(2)22(18(3)4)19(5)23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h17-19H,6-16H2,1-5H3
InChIKeyMPUXLLBOGGGTFW-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.13
Rot. Bonds5

About N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine

N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 20572603) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
PubChem CID20572603
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC NameN-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)ON=C1CCCCCCCCCCC1
InChIInChI=1S/C20H40N2O/c1-17(2)22(18(3)4)19(5)23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h17-19H,6-16H2,1-5H3
InChIKeyMPUXLLBOGGGTFW-UHFFFAOYSA-N
XLogP6.13
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine (CID 20572603) is N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)ON=C1CCCCCCCCCCC1.
What is the InChIKey of N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is MPUXLLBOGGGTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-17(2)22(18(3)4)19(5)23-21-20-15-13-11-9-7-6-8-10-12-14-16-20/h17-19H,6-16H2,1-5H3.
What are the key properties of N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine?
N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 324.55 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclododecylideneamino)oxyethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 20572603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).