2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol

C9H19NO — CID 90938856

IUPAC2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol
SMILESC=CC(CC(C)C)C(O)NC
InChIInChI=1S/C9H19NO/c1-5-8(6-7(2)3)9(11)10-4/h5,7-11H,1,6H2,2-4H3
InChIKeyWTYOSKJDQIWVCK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.37
Rot. Bonds5

About 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol

2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol (PubChem CID 90938856) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol
PubChem CID90938856
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol
SMILESC=CC(CC(C)C)C(O)NC
InChIInChI=1S/C9H19NO/c1-5-8(6-7(2)3)9(11)10-4/h5,7-11H,1,6H2,2-4H3
InChIKeyWTYOSKJDQIWVCK-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Methylaminomethyl)hex-5-en-1-ol
CID 23122164
1-(2-Prop-2-enylpent-4-enylamino)ethanol
CID 87438840
1-Amino-3-prop-2-enylhex-5-en-1-ol
CID 87793067
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
CID 89073834
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
1-Amino-2-ethenyl-3-methylpentan-1-ol
CID 90811713
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
(2S)-2-ethyl-1-(methylamino)pent-4-en-1-ol
CID 155131389
(3S)-3-ethenyl-7-(methylamino)heptan-2-ol
CID 156107893

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol?
The IUPAC name of 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol (CID 90938856) is 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol.
What is the SMILES notation for 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol?
The canonical SMILES for 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol is C=CC(CC(C)C)C(O)NC.
What is the InChIKey of 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol?
The InChIKey is WTYOSKJDQIWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-8(6-7(2)3)9(11)10-4/h5,7-11H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol?
2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-1-(methylamino)pentan-1-ol is sourced from PubChem (CID 90938856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).