N-ethyl-2-methoxy-2-methyldodecan-4-amine

C16H35NO — CID 103025058

IUPACN-ethyl-2-methoxy-2-methyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C16H35NO/c1-6-8-9-10-11-12-13-15(17-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3
InChIKeyDJGDOJHKBSWCOR-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.53
Rot. Bonds12

About N-ethyl-2-methoxy-2-methyldodecan-4-amine

N-ethyl-2-methoxy-2-methyldodecan-4-amine (PubChem CID 103025058) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyldodecan-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyldodecan-4-amine
PubChem CID103025058
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-ethyl-2-methoxy-2-methyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)(C)OC)NCC
InChIInChI=1S/C16H35NO/c1-6-8-9-10-11-12-13-15(17-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3
InChIKeyDJGDOJHKBSWCOR-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyldodecan-4-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyldodecan-4-amine (CID 103025058) is N-ethyl-2-methoxy-2-methyldodecan-4-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyldodecan-4-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyldodecan-4-amine is CCCCCCCCC(CC(C)(C)OC)NCC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyldodecan-4-amine?
The InChIKey is DJGDOJHKBSWCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-6-8-9-10-11-12-13-15(17-7-2)14-16(3,4)18-5/h15,17H,6-14H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methyldodecan-4-amine?
N-ethyl-2-methoxy-2-methyldodecan-4-amine has a molecular weight of 257.46 g/mol, XLogP of 4.53, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methyldodecan-4-amine is sourced from PubChem (CID 103025058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).