ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine

C13H29NO — CID 142132517

IUPACethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCCC)CCCOC.CC
InChIInChI=1S/C11H23NO.C2H6/c1-5-6-8-12(11(2)3)9-7-10-13-4;1-2/h2,5-10H2,1,3-4H3;1-2H3
InChIKeyAVDNDHXDLYGYHX-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.68
Rot. Bonds8

About ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine

ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 142132517) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine
PubChem CID142132517
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCCC)CCCOC.CC
InChIInChI=1S/C11H23NO.C2H6/c1-5-6-8-12(11(2)3)9-7-10-13-4;1-2/h2,5-10H2,1,3-4H3;1-2H3
InChIKeyAVDNDHXDLYGYHX-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine (CID 142132517) is ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(CCCC)CCCOC.CC.
What is the InChIKey of ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is AVDNDHXDLYGYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6/c1-5-6-8-12(11(2)3)9-7-10-13-4;1-2/h2,5-10H2,1,3-4H3;1-2H3.
What are the key properties of ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine?
ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 142132517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).