ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine

C12H25NO — CID 170709372

IUPACethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
SMILESCC.CCNCCOCC#CC(C)C
InChIInChI=1S/C10H19NO.C2H6/c1-4-11-7-9-12-8-5-6-10(2)3;1-2/h10-11H,4,7-9H2,1-3H3;1-2H3
InChIKeyDMQLZXCQGRUEGE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds5

About ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine

ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine (PubChem CID 170709372) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
PubChem CID170709372
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine
SMILESCC.CCNCCOCC#CC(C)C
InChIInChI=1S/C10H19NO.C2H6/c1-4-11-7-9-12-8-5-6-10(2)3;1-2/h10-11H,4,7-9H2,1-3H3;1-2H3
InChIKeyDMQLZXCQGRUEGE-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-2-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 168959349
N-[2-[2-[2-(4-methylpent-2-ynoxy)ethoxy]ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 166554710
1-[2-(2-methoxyethoxy)ethoxy]-4-methylpent-2-yne
CID 165382525
N-ethyl-4-methylpent-2-yn-1-amine
CID 87579877
2-methyl-N-[2-[2-[2-[2-(4-methylhex-2-ynoxy)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 156795110
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-ethoxy-N-ethylethanamine;hydrochloride
CID 86621180
N-ethyl-2-[5-[2-(ethylamino)ethoxy]-3,3-bis[2-[2-(ethylamino)ethoxy]ethyl]pentoxy]ethanamine
CID 143968135
4-methyl-1-prop-2-enoxypent-2-yne
CID 57470526
4-[2-[2-(ethylamino)ethoxy]ethoxy]butane-2-thiol
CID 155740206

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine?
The IUPAC name of ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine (CID 170709372) is ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine?
The canonical SMILES for ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine is CC.CCNCCOCC#CC(C)C.
What is the InChIKey of ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine?
The InChIKey is DMQLZXCQGRUEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-4-11-7-9-12-8-5-6-10(2)3;1-2/h10-11H,4,7-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine?
ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(4-methylpent-2-ynoxy)ethanamine is sourced from PubChem (CID 170709372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).