ethane;methane;2-(prop-2-enylamino)propan-1-ol

C9H23NO — CID 143392635

IUPACethane;methane;2-(prop-2-enylamino)propan-1-ol
SMILESC.C=CCNC(C)CO.CC
InChIInChI=1S/C6H13NO.C2H6.CH4/c1-3-4-7-6(2)5-8;1-2;/h3,6-8H,1,4-5H2,2H3;1-2H3;1H4
InChIKeyMAKBIXQPQABHQO-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.81
Rot. Bonds4

About ethane;methane;2-(prop-2-enylamino)propan-1-ol

ethane;methane;2-(prop-2-enylamino)propan-1-ol (PubChem CID 143392635) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is ethane;methane;2-(prop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Nameethane;methane;2-(prop-2-enylamino)propan-1-ol
PubChem CID143392635
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Nameethane;methane;2-(prop-2-enylamino)propan-1-ol
SMILESC.C=CCNC(C)CO.CC
InChIInChI=1S/C6H13NO.C2H6.CH4/c1-3-4-7-6(2)5-8;1-2;/h3,6-8H,1,4-5H2,2H3;1-2H3;1H4
InChIKeyMAKBIXQPQABHQO-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-(prop-2-enylamino)propan-1-ol?
The IUPAC name of ethane;methane;2-(prop-2-enylamino)propan-1-ol (CID 143392635) is ethane;methane;2-(prop-2-enylamino)propan-1-ol.
What is the SMILES notation for ethane;methane;2-(prop-2-enylamino)propan-1-ol?
The canonical SMILES for ethane;methane;2-(prop-2-enylamino)propan-1-ol is C.C=CCNC(C)CO.CC.
What is the InChIKey of ethane;methane;2-(prop-2-enylamino)propan-1-ol?
The InChIKey is MAKBIXQPQABHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6.CH4/c1-3-4-7-6(2)5-8;1-2;/h3,6-8H,1,4-5H2,2H3;1-2H3;1H4.
What are the key properties of ethane;methane;2-(prop-2-enylamino)propan-1-ol?
ethane;methane;2-(prop-2-enylamino)propan-1-ol has a molecular weight of 161.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-(prop-2-enylamino)propan-1-ol is sourced from PubChem (CID 143392635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).