(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol

C9H19NO — CID 59072756

IUPAC(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol
SMILESCNC(C)(C)C/C=C\CCO
InChIInChI=1S/C9H19NO/c1-9(2,10-3)7-5-4-6-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4-
InChIKeyBLILMDYPSXLMLF-PLNGDYQASA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds5

About (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol

(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol (PubChem CID 59072756) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol.

Molecular Properties

Compound Name(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol
PubChem CID59072756
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(Z)-6-methyl-6-(methylamino)hept-3-en-1-ol
SMILESCNC(C)(C)C/C=C\CCO
InChIInChI=1S/C9H19NO/c1-9(2,10-3)7-5-4-6-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4-
InChIKeyBLILMDYPSXLMLF-PLNGDYQASA-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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Related Compounds

methyl (Z)-2-amino-7-hydroxy-2-methylhept-4-enoate
CID 58606445
(Z)-5,5-dimethylhex-3-en-1-ol
CID 117268008
ethane;3-methyl-3-(methylamino)butan-1-ol;propane
CID 142331401
(Z)-8-methylnon-3-en-1-ol
CID 88790350
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal
CID 176694902
5-(methylamino)hex-3-en-1-ol
CID 173195791
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
tert-butyl N-[(Z)-7-bromo-2-methylhept-4-en-2-yl]carbamate
CID 59906728
(E)-2,7-dimethyloct-4-ene-2,7-diol
CID 6536882

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol?
The IUPAC name of (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol (CID 59072756) is (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol.
What is the SMILES notation for (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol?
The canonical SMILES for (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol is CNC(C)(C)C/C=C\CCO.
What is the InChIKey of (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol?
The InChIKey is BLILMDYPSXLMLF-PLNGDYQASA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,10-3)7-5-4-6-8-11/h4-5,10-11H,6-8H2,1-3H3/b5-4-.
What are the key properties of (Z)-6-methyl-6-(methylamino)hept-3-en-1-ol?
(Z)-6-methyl-6-(methylamino)hept-3-en-1-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)-6-methyl-6-(methylamino)hept-3-en-1-ol is sourced from PubChem (CID 59072756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).