3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine

C21H42N2O — CID 13205812

IUPAC3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCON=C1CCCCCCCCCCC1)C(C)C
InChIInChI=1S/C21H42N2O/c1-19(2)23(20(3)4)17-14-18-24-22-21-15-12-10-8-6-5-7-9-11-13-16-21/h19-20H,5-18H2,1-4H3
InChIKeyLUDVXWQMOSWOKZ-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.17
Rot. Bonds7

About 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine

3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 13205812) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
PubChem CID13205812
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCON=C1CCCCCCCCCCC1)C(C)C
InChIInChI=1S/C21H42N2O/c1-19(2)23(20(3)4)17-14-18-24-22-21-15-12-10-8-6-5-7-9-11-13-16-21/h19-20H,5-18H2,1-4H3
InChIKeyLUDVXWQMOSWOKZ-UHFFFAOYSA-N
XLogP6.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.17
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 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine (CID 13205812) is 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCCON=C1CCCCCCCCCCC1)C(C)C.
What is the InChIKey of 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is LUDVXWQMOSWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-19(2)23(20(3)4)17-14-18-24-22-21-15-12-10-8-6-5-7-9-11-13-16-21/h19-20H,5-18H2,1-4H3.
What are the key properties of 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 338.58 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 13205812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).