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

C21H42N2O — CID 20572586

IUPAC1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCCC(ON=C1CCCCCCCCCCC1)N(C(C)C)C(C)C
InChIInChI=1S/C21H42N2O/c1-6-21(23(18(2)3)19(4)5)24-22-20-16-14-12-10-8-7-9-11-13-15-17-20/h18-19,21H,6-17H2,1-5H3
InChIKeyDNJCHFCKRYVTCH-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.52
Rot. Bonds6

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

1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 20572586) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
PubChem CID20572586
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCCC(ON=C1CCCCCCCCCCC1)N(C(C)C)C(C)C
InChIInChI=1S/C21H42N2O/c1-6-21(23(18(2)3)19(4)5)24-22-20-16-14-12-10-8-7-9-11-13-15-17-20/h18-19,21H,6-17H2,1-5H3
InChIKeyDNJCHFCKRYVTCH-UHFFFAOYSA-N
XLogP6.52
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.52
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 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine (CID 20572586) is 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine is CCC(ON=C1CCCCCCCCCCC1)N(C(C)C)C(C)C.
What is the InChIKey of 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is DNJCHFCKRYVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-6-21(23(18(2)3)19(4)5)24-22-20-16-14-12-10-8-7-9-11-13-15-17-20/h18-19,21H,6-17H2,1-5H3.
What are the key properties of 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine?
1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 338.58 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclododecylideneamino)oxy-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 20572586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).