3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol

C9H19NO — CID 90874893

IUPAC3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol
SMILESC=C(C)C(C)(C)C(CO)NC
InChIInChI=1S/C9H19NO/c1-7(2)9(3,4)8(6-11)10-5/h8,10-11H,1,6H2,2-5H3
InChIKeyZZQFZPVFEKFKMR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds4

About 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol

3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol (PubChem CID 90874893) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol
PubChem CID90874893
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol
SMILESC=C(C)C(C)(C)C(CO)NC
InChIInChI=1S/C9H19NO/c1-7(2)9(3,4)8(6-11)10-5/h8,10-11H,1,6H2,2-5H3
InChIKeyZZQFZPVFEKFKMR-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
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 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol?
The IUPAC name of 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol (CID 90874893) is 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol.
What is the SMILES notation for 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol?
The canonical SMILES for 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol is C=C(C)C(C)(C)C(CO)NC.
What is the InChIKey of 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol?
The InChIKey is ZZQFZPVFEKFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(3,4)8(6-11)10-5/h8,10-11H,1,6H2,2-5H3.
What are the key properties of 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol?
3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-2-(methylamino)pent-4-en-1-ol is sourced from PubChem (CID 90874893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).