(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol

C9H19NO — CID 138614769

IUPAC(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol
SMILESC/C=C(\CNCC)C[C@H](C)O
InChIInChI=1S/C9H19NO/c1-4-9(6-8(3)11)7-10-5-2/h4,8,10-11H,5-7H2,1-3H3/b9-4-/t8-/m0/s1
InChIKeyDWLPLNVSOBDSAY-ZKUGPGMGSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds5

About (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol

(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol (PubChem CID 138614769) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol
PubChem CID138614769
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol
SMILESC/C=C(\CNCC)C[C@H](C)O
InChIInChI=1S/C9H19NO/c1-4-9(6-8(3)11)7-10-5-2/h4,8,10-11H,5-7H2,1-3H3/b9-4-/t8-/m0/s1
InChIKeyDWLPLNVSOBDSAY-ZKUGPGMGSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
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 (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol?
The IUPAC name of (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol (CID 138614769) is (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol.
What is the SMILES notation for (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol?
The canonical SMILES for (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol is C/C=C(\CNCC)C[C@H](C)O.
What is the InChIKey of (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol?
The InChIKey is DWLPLNVSOBDSAY-ZKUGPGMGSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(6-8(3)11)7-10-5-2/h4,8,10-11H,5-7H2,1-3H3/b9-4-/t8-/m0/s1.
What are the key properties of (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol?
(Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-4-(ethylaminomethyl)hex-4-en-2-ol is sourced from PubChem (CID 138614769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).