ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol

C11H25NO — CID 143547341

IUPACethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol
SMILESC=C(C)N(C)CCC(O)CC.CC
InChIInChI=1S/C9H19NO.C2H6/c1-5-9(11)6-7-10(4)8(2)3;1-2/h9,11H,2,5-7H2,1,3-4H3;1-2H3
InChIKeyXAWWSFFCPRUWDA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.64
Rot. Bonds5

About ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol

ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol (PubChem CID 143547341) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol.

Molecular Properties

Compound Nameethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol
PubChem CID143547341
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol
SMILESC=C(C)N(C)CCC(O)CC.CC
InChIInChI=1S/C9H19NO.C2H6/c1-5-9(11)6-7-10(4)8(2)3;1-2/h9,11H,2,5-7H2,1,3-4H3;1-2H3
InChIKeyXAWWSFFCPRUWDA-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol?
The IUPAC name of ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol (CID 143547341) is ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol.
What is the SMILES notation for ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol?
The canonical SMILES for ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol is C=C(C)N(C)CCC(O)CC.CC.
What is the InChIKey of ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol?
The InChIKey is XAWWSFFCPRUWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-5-9(11)6-7-10(4)8(2)3;1-2/h9,11H,2,5-7H2,1,3-4H3;1-2H3.
What are the key properties of ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol?
ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol has a molecular weight of 187.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[methyl(prop-1-en-2-yl)amino]pentan-3-ol is sourced from PubChem (CID 143547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).