2-(ethylamino)-3-methylhex-5-en-2-ol

C9H19NO — CID 174655406

IUPAC2-(ethylamino)-3-methylhex-5-en-2-ol
SMILESC=CCC(C)C(C)(O)NCC
InChIInChI=1S/C9H19NO/c1-5-7-8(3)9(4,11)10-6-2/h5,8,10-11H,1,6-7H2,2-4H3
InChIKeySVVODFVRHZZBEH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.52
Rot. Bonds5

About 2-(ethylamino)-3-methylhex-5-en-2-ol

2-(ethylamino)-3-methylhex-5-en-2-ol (PubChem CID 174655406) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(ethylamino)-3-methylhex-5-en-2-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methylhex-5-en-2-ol
PubChem CID174655406
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(ethylamino)-3-methylhex-5-en-2-ol
SMILESC=CCC(C)C(C)(O)NCC
InChIInChI=1S/C9H19NO/c1-5-7-8(3)9(4,11)10-6-2/h5,8,10-11H,1,6-7H2,2-4H3
InChIKeySVVODFVRHZZBEH-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

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

(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
2-methyl-1-(pent-4-en-2-ylamino)butan-2-ol
CID 114493625
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
ethanol;4-methylpent-1-ene
CID 141289447
2,3-dimethyl-2-(prop-2-enylamino)pentanenitrile
CID 62354448
3-ethylhept-6-ene-3,4-diol
CID 57004244
sodium;hydride;4-methylhex-1-ene
CID 173048656
(E)-2,6-dimethyloct-3-en-2-ol
CID 6365952
2,6-dimethyloct-3-en-2-ol
CID 3019835
2,2,4-trimethylhept-6-en-3-one
CID 130027108
4-(2,2-dimethylpropylsulfanyl)pent-1-ene
CID 138478178
4-(ethylamino)-4-methylpent-1-en-3-one
CID 116566077

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methylhex-5-en-2-ol?
The IUPAC name of 2-(ethylamino)-3-methylhex-5-en-2-ol (CID 174655406) is 2-(ethylamino)-3-methylhex-5-en-2-ol.
What is the SMILES notation for 2-(ethylamino)-3-methylhex-5-en-2-ol?
The canonical SMILES for 2-(ethylamino)-3-methylhex-5-en-2-ol is C=CCC(C)C(C)(O)NCC.
What is the InChIKey of 2-(ethylamino)-3-methylhex-5-en-2-ol?
The InChIKey is SVVODFVRHZZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-7-8(3)9(4,11)10-6-2/h5,8,10-11H,1,6-7H2,2-4H3.
What are the key properties of 2-(ethylamino)-3-methylhex-5-en-2-ol?
2-(ethylamino)-3-methylhex-5-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 2-(ethylamino)-3-methylhex-5-en-2-ol is sourced from PubChem (CID 174655406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).