ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine

C12H29NO — CID 176555082

IUPACethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
SMILESCC.CCCCCN(CC)CCOC
InChIInChI=1S/C10H23NO.C2H6/c1-4-6-7-8-11(5-2)9-10-12-3;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyBGQFPMCJKGKJCR-UHFFFAOYSA-N
MW203.37 g/mol
LogP3.17
Rot. Bonds8

About ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine

ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 176555082) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
PubChem CID176555082
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC Nameethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
SMILESCC.CCCCCN(CC)CCOC
InChIInChI=1S/C10H23NO.C2H6/c1-4-6-7-8-11(5-2)9-10-12-3;1-2/h4-10H2,1-3H3;1-2H3
InChIKeyBGQFPMCJKGKJCR-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
N-dodecyl-N-(2-methoxyethyl)dodecan-1-amine
CID 167224233
N-(2-methoxyethyl)-N-nonylnonan-1-amine
CID 6426107
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine (CID 176555082) is ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine is CC.CCCCCN(CC)CCOC.
What is the InChIKey of ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is BGQFPMCJKGKJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.C2H6/c1-4-6-7-8-11(5-2)9-10-12-3;1-2/h4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine?
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 203.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 176555082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).