N-(2-ethoxyethyl)propan-1-amine;methane

C11H33NO — CID 157152444

IUPACN-(2-ethoxyethyl)propan-1-amine;methane
SMILESC.C.C.C.CCCNCCOCC
InChIInChI=1S/C7H17NO.4CH4/c1-3-5-8-6-7-9-4-2;;;;/h8H,3-7H2,1-2H3;4*1H4
InChIKeyALKKFQBTOGXPJT-UHFFFAOYSA-N
MW195.39 g/mol
LogP3.57
Rot. Bonds6

About N-(2-ethoxyethyl)propan-1-amine;methane

N-(2-ethoxyethyl)propan-1-amine;methane (PubChem CID 157152444) has the molecular formula C11H33NO and a molecular weight of 195.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)propan-1-amine;methane.

Molecular Properties

Compound NameN-(2-ethoxyethyl)propan-1-amine;methane
PubChem CID157152444
Molecular FormulaC11H33NO
Molecular Weight195.39 g/mol
Exact Mass195.26
IUPAC NameN-(2-ethoxyethyl)propan-1-amine;methane
SMILESC.C.C.C.CCCNCCOCC
InChIInChI=1S/C7H17NO.4CH4/c1-3-5-8-6-7-9-4-2;;;;/h8H,3-7H2,1-2H3;4*1H4
InChIKeyALKKFQBTOGXPJT-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.39
LogP ≤ 53.57
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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Related Compounds

7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
2-ethoxy-N-(iodomethyl)ethanamine
CID 118400256
CID 89426225
CID 89426225
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
N-(2-but-2-enoxyethyl)propan-1-amine
CID 76940105

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)propan-1-amine;methane?
The IUPAC name of N-(2-ethoxyethyl)propan-1-amine;methane (CID 157152444) is N-(2-ethoxyethyl)propan-1-amine;methane.
What is the SMILES notation for N-(2-ethoxyethyl)propan-1-amine;methane?
The canonical SMILES for N-(2-ethoxyethyl)propan-1-amine;methane is C.C.C.C.CCCNCCOCC.
What is the InChIKey of N-(2-ethoxyethyl)propan-1-amine;methane?
The InChIKey is ALKKFQBTOGXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.4CH4/c1-3-5-8-6-7-9-4-2;;;;/h8H,3-7H2,1-2H3;4*1H4.
What are the key properties of N-(2-ethoxyethyl)propan-1-amine;methane?
N-(2-ethoxyethyl)propan-1-amine;methane has a molecular weight of 195.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)propan-1-amine;methane is sourced from PubChem (CID 157152444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).