N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine

C22H42N2O — CID 13205809

IUPACN-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine
SMILESCN(CCCON=C1CCCCCCCCCCC1)C1CCCCC1
InChIInChI=1S/C22H42N2O/c1-24(22-17-12-9-13-18-22)19-14-20-25-23-21-15-10-7-5-3-2-4-6-8-11-16-21/h22H,2-20H2,1H3
InChIKeyBDBSSNHXGKUPIZ-UHFFFAOYSA-N
MW350.59 g/mol
LogP6.32
Rot. Bonds6

About N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine

N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine (PubChem CID 13205809) has the molecular formula C22H42N2O and a molecular weight of 350.59 g/mol. Its IUPAC name is N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine
PubChem CID13205809
Molecular FormulaC22H42N2O
Molecular Weight350.59 g/mol
Exact Mass350.33
IUPAC NameN-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine
SMILESCN(CCCON=C1CCCCCCCCCCC1)C1CCCCC1
InChIInChI=1S/C22H42N2O/c1-24(22-17-12-9-13-18-22)19-14-20-25-23-21-15-10-7-5-3-2-4-6-8-11-16-21/h22H,2-20H2,1H3
InChIKeyBDBSSNHXGKUPIZ-UHFFFAOYSA-N
XLogP6.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 56.32
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-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine?
The IUPAC name of N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine (CID 13205809) is N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine is CN(CCCON=C1CCCCCCCCCCC1)C1CCCCC1.
What is the InChIKey of N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine?
The InChIKey is BDBSSNHXGKUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O/c1-24(22-17-12-9-13-18-22)19-14-20-25-23-21-15-10-7-5-3-2-4-6-8-11-16-21/h22H,2-20H2,1H3.
What are the key properties of N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine?
N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine has a molecular weight of 350.59 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclododecylideneamino)oxypropyl]-N-methylcyclohexanamine is sourced from PubChem (CID 13205809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).