ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol

C9H21NO — CID 166484187

IUPACethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol
SMILESCC.CCC(O)/C(C)=C/NC
InChIInChI=1S/C7H15NO.C2H6/c1-4-7(9)6(2)5-8-3;1-2/h5,7-9H,4H2,1-3H3;1-2H3/b6-5+;
InChIKeyBTKBGVCQADSMSQ-IPZCTEOASA-N
MW159.27 g/mol
LogP1.91
Rot. Bonds3

About ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol

ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol (PubChem CID 166484187) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol.

Molecular Properties

Compound Nameethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol
PubChem CID166484187
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol
SMILESCC.CCC(O)/C(C)=C/NC
InChIInChI=1S/C7H15NO.C2H6/c1-4-7(9)6(2)5-8-3;1-2/h5,7-9H,4H2,1-3H3;1-2H3/b6-5+;
InChIKeyBTKBGVCQADSMSQ-IPZCTEOASA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol?
The IUPAC name of ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol (CID 166484187) is ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol.
What is the SMILES notation for ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol?
The canonical SMILES for ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol is CC.CCC(O)/C(C)=C/NC.
What is the InChIKey of ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol?
The InChIKey is BTKBGVCQADSMSQ-IPZCTEOASA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-4-7(9)6(2)5-8-3;1-2/h5,7-9H,4H2,1-3H3;1-2H3/b6-5+;.
What are the key properties of ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol?
ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-methyl-1-(methylamino)pent-1-en-3-ol is sourced from PubChem (CID 166484187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).