1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol

C8H17NO — CID 167275832

IUPAC1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol
SMILESC/C=C(/C)[C@@H](C)NC(C)O
InChIInChI=1S/C8H17NO/c1-5-6(2)7(3)9-8(4)10/h5,7-10H,1-4H3/b6-5-/t7-,8?/m1/s1
InChIKeyQKHPSIPWFCWIDN-TXZFYPEOSA-N
MW143.23 g/mol
LogP1.27
Rot. Bonds3

About 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol

1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol (PubChem CID 167275832) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol
PubChem CID167275832
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol
SMILESC/C=C(/C)[C@@H](C)NC(C)O
InChIInChI=1S/C8H17NO/c1-5-6(2)7(3)9-8(4)10/h5,7-10H,1-4H3/b6-5-/t7-,8?/m1/s1
InChIKeyQKHPSIPWFCWIDN-TXZFYPEOSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol?
The IUPAC name of 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol (CID 167275832) is 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol.
What is the SMILES notation for 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol?
The canonical SMILES for 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol is C/C=C(/C)[C@@H](C)NC(C)O.
What is the InChIKey of 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol?
The InChIKey is QKHPSIPWFCWIDN-TXZFYPEOSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(2)7(3)9-8(4)10/h5,7-10H,1-4H3/b6-5-/t7-,8?/m1/s1.
What are the key properties of 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol?
1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(Z,2R)-3-methylpent-3-en-2-yl]amino]ethanol is sourced from PubChem (CID 167275832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).