4-(ethylideneamino)-2-methylhex-2-en-1-ol

C9H17NO — CID 123762122

IUPAC4-(ethylideneamino)-2-methylhex-2-en-1-ol
SMILESC/C=N/C(C=C(C)CO)CC
InChIInChI=1S/C9H17NO/c1-4-9(10-5-2)6-8(3)7-11/h5-6,9,11H,4,7H2,1-3H3/b8-6?,10-5+
InChIKeyBYQIIYJPLDZDMG-QXTQWVAJSA-N
MW155.24 g/mol
LogP1.79
Rot. Bonds4

About 4-(ethylideneamino)-2-methylhex-2-en-1-ol

4-(ethylideneamino)-2-methylhex-2-en-1-ol (PubChem CID 123762122) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(ethylideneamino)-2-methylhex-2-en-1-ol.

Molecular Properties

Compound Name4-(ethylideneamino)-2-methylhex-2-en-1-ol
PubChem CID123762122
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(ethylideneamino)-2-methylhex-2-en-1-ol
SMILESC/C=N/C(C=C(C)CO)CC
InChIInChI=1S/C9H17NO/c1-4-9(10-5-2)6-8(3)7-11/h5-6,9,11H,4,7H2,1-3H3/b8-6?,10-5+
InChIKeyBYQIIYJPLDZDMG-QXTQWVAJSA-N
XLogP1.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-2-methylhex-2-en-1-ol?
The IUPAC name of 4-(ethylideneamino)-2-methylhex-2-en-1-ol (CID 123762122) is 4-(ethylideneamino)-2-methylhex-2-en-1-ol.
What is the SMILES notation for 4-(ethylideneamino)-2-methylhex-2-en-1-ol?
The canonical SMILES for 4-(ethylideneamino)-2-methylhex-2-en-1-ol is C/C=N/C(C=C(C)CO)CC.
What is the InChIKey of 4-(ethylideneamino)-2-methylhex-2-en-1-ol?
The InChIKey is BYQIIYJPLDZDMG-QXTQWVAJSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(10-5-2)6-8(3)7-11/h5-6,9,11H,4,7H2,1-3H3/b8-6?,10-5+.
What are the key properties of 4-(ethylideneamino)-2-methylhex-2-en-1-ol?
4-(ethylideneamino)-2-methylhex-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-2-methylhex-2-en-1-ol is sourced from PubChem (CID 123762122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).