N-ethyl-2-methoxy-2-methyldecan-3-amine

C14H31NO — CID 79197097

IUPACN-ethyl-2-methoxy-2-methyldecan-3-amine
SMILESCCCCCCCC(NCC)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-7-2)14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyRMPQKLHIFKABEF-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.75
Rot. Bonds10

About N-ethyl-2-methoxy-2-methyldecan-3-amine

N-ethyl-2-methoxy-2-methyldecan-3-amine (PubChem CID 79197097) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyldecan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyldecan-3-amine
PubChem CID79197097
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN-ethyl-2-methoxy-2-methyldecan-3-amine
SMILESCCCCCCCC(NCC)C(C)(C)OC
InChIInChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-7-2)14(3,4)16-5/h13,15H,6-12H2,1-5H3
InChIKeyRMPQKLHIFKABEF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.75
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-methyldecan-3-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyldecan-3-amine (CID 79197097) is N-ethyl-2-methoxy-2-methyldecan-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyldecan-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyldecan-3-amine is CCCCCCCC(NCC)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyldecan-3-amine?
The InChIKey is RMPQKLHIFKABEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-6-8-9-10-11-12-13(15-7-2)14(3,4)16-5/h13,15H,6-12H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methyldecan-3-amine?
N-ethyl-2-methoxy-2-methyldecan-3-amine has a molecular weight of 229.41 g/mol, XLogP of 3.75, 10 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-methyldecan-3-amine is sourced from PubChem (CID 79197097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).