2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene

C11H25NO — CID 143077499

IUPAC2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
SMILESC/C=C\C(C)=C/C.CC.NCCO
InChIInChI=1S/C7H12.C2H7NO.C2H6/c1-4-6-7(3)5-2;3-1-2-4;1-2/h4-6H,1-3H3;4H,1-3H2;1-2H3/b6-4-,7-5-;;
InChIKeyBHMFGZPXPLRDJG-RVMHNBBFSA-N
MW187.33 g/mol
LogP2.49
Rot. Bonds2

About 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene

2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene (PubChem CID 143077499) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene.

Molecular Properties

Compound Name2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
PubChem CID143077499
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
SMILESC/C=C\C(C)=C/C.CC.NCCO
InChIInChI=1S/C7H12.C2H7NO.C2H6/c1-4-6-7(3)5-2;3-1-2-4;1-2/h4-6H,1-3H3;4H,1-3H2;1-2H3/b6-4-,7-5-;;
InChIKeyBHMFGZPXPLRDJG-RVMHNBBFSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2Z,4Z)-4,5-dimethylhepta-2,4,6-trienyl]amino]ethanol
CID 88544382
2-[[(1Z,3Z,5Z)-2-methylhepta-1,3,5-trienyl]amino]ethanol
CID 88881134
(2R,4Z)-1-amino-5-ethylhepta-4,6-dien-2-ol
CID 88905625
2-[[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]amino]ethanol
CID 90130168
2-Amino-3-prop-1-enylhex-3-en-1-ol
CID 90939141
(1E,3E)-6-amino-4-methylhexa-1,3-dien-1-ol
CID 118670003
2-Amino-3-ethenylocta-3,5-dien-1-ol
CID 123257889
2-(2-Ethylidenepent-3-enylamino)ethanol
CID 123941674
(2E,4E)-1-amino-3,7-dimethylocta-2,4,6-trien-1-ol
CID 141767040
(3E)-2-amino-3-ethenyl-5-methylhexa-3,5-dien-1-ol;ethane
CID 142547620
ethane;ethanol;(2E,4E,5Z)-4-ethylidene-N,2-dimethylhepta-2,5-dien-1-amine
CID 142918885
(3E)-3-ethenyl-2-methylhexa-3,5-dien-1-amine;methanol;prop-1-ene
CID 143110118

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The IUPAC name of 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene (CID 143077499) is 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene.
What is the SMILES notation for 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The canonical SMILES for 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene is C/C=C\C(C)=C/C.CC.NCCO.
What is the InChIKey of 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
The InChIKey is BHMFGZPXPLRDJG-RVMHNBBFSA-N. The full InChI is InChI=1S/C7H12.C2H7NO.C2H6/c1-4-6-7(3)5-2;3-1-2-4;1-2/h4-6H,1-3H3;4H,1-3H2;1-2H3/b6-4-,7-5-;;.
What are the key properties of 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene?
2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene has a molecular weight of 187.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;ethane;(2Z,4Z)-3-methylhexa-2,4-diene is sourced from PubChem (CID 143077499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).