2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol

C11H23NO — CID 106292807

IUPAC2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
SMILESC=C(C)CCNCC(C)(O)CCC
InChIInChI=1S/C11H23NO/c1-5-7-11(4,13)9-12-8-6-10(2)3/h12-13H,2,5-9H2,1,3-4H3
InChIKeyKGOYWBMMNZASFA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds7

About 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol

2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol (PubChem CID 106292807) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
PubChem CID106292807
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
SMILESC=C(C)CCNCC(C)(O)CCC
InChIInChI=1S/C11H23NO/c1-5-7-11(4,13)9-12-8-6-10(2)3/h12-13H,2,5-9H2,1,3-4H3
InChIKeyKGOYWBMMNZASFA-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
N-(2-ethoxy-2-methylpropyl)-3-methylbut-3-en-1-amine
CID 114941946
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106292785

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol (CID 106292807) is 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol is C=C(C)CCNCC(C)(O)CCC.
What is the InChIKey of 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
The InChIKey is KGOYWBMMNZASFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-11(4,13)9-12-8-6-10(2)3/h12-13H,2,5-9H2,1,3-4H3.
What are the key properties of 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol?
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol is sourced from PubChem (CID 106292807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).