3-methyl-6-(methylamino)hept-6-en-2-ol

C9H19NO — CID 166966011

IUPAC3-methyl-6-(methylamino)hept-6-en-2-ol
SMILESC=C(CCC(C)C(C)O)NC
InChIInChI=1S/C9H19NO/c1-7(9(3)11)5-6-8(2)10-4/h7,9-11H,2,5-6H2,1,3-4H3
InChIKeyZTOMTZLDSBFVRO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.52
Rot. Bonds5

About 3-methyl-6-(methylamino)hept-6-en-2-ol

3-methyl-6-(methylamino)hept-6-en-2-ol (PubChem CID 166966011) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)hept-6-en-2-ol.

Molecular Properties

Compound Name3-methyl-6-(methylamino)hept-6-en-2-ol
PubChem CID166966011
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-6-(methylamino)hept-6-en-2-ol
SMILESC=C(CCC(C)C(C)O)NC
InChIInChI=1S/C9H19NO/c1-7(9(3)11)5-6-8(2)10-4/h7,9-11H,2,5-6H2,1,3-4H3
InChIKeyZTOMTZLDSBFVRO-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(methylamino)hept-6-en-2-ol?
The IUPAC name of 3-methyl-6-(methylamino)hept-6-en-2-ol (CID 166966011) is 3-methyl-6-(methylamino)hept-6-en-2-ol.
What is the SMILES notation for 3-methyl-6-(methylamino)hept-6-en-2-ol?
The canonical SMILES for 3-methyl-6-(methylamino)hept-6-en-2-ol is C=C(CCC(C)C(C)O)NC.
What is the InChIKey of 3-methyl-6-(methylamino)hept-6-en-2-ol?
The InChIKey is ZTOMTZLDSBFVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(9(3)11)5-6-8(2)10-4/h7,9-11H,2,5-6H2,1,3-4H3.
What are the key properties of 3-methyl-6-(methylamino)hept-6-en-2-ol?
3-methyl-6-(methylamino)hept-6-en-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)hept-6-en-2-ol is sourced from PubChem (CID 166966011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).