4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol

C11H23NO — CID 103949823

IUPAC4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
SMILESC=C(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-12-10(6-7-13)11(3,4)5/h10,12-13H,1,6-8H2,2-5H3
InChIKeyJBIOEHSQQGKSEO-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds5

About 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol

4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol (PubChem CID 103949823) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
PubChem CID103949823
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
SMILESC=C(C)CNC(CCO)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(2)8-12-10(6-7-13)11(3,4)5/h10,12-13H,1,6-8H2,2-5H3
InChIKeyJBIOEHSQQGKSEO-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
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

3-(3-Hydroxypropylamino)-4,4-dimethylpentan-1-ol
CID 87525843
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
4-Methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
4,4-Dimethyl-3-(methylamino)pentan-1-ol
CID 64813439
4,4-Dimethyl-3-(propylamino)pentan-1-ol
CID 64814478
3-(Ethylamino)-4,4-dimethyl-1-pentanol
CID 64815315
4-(2-Methylprop-2-enylamino)pentan-1-ol
CID 80294183
3-(2-Methylprop-2-enylamino)butan-1-ol
CID 83177169
2,2-Dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
CID 103522628
3-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103774848
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
3-(Butylamino)-4,4-dimethylpentan-1-ol
CID 103949861

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol (CID 103949823) is 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol is C=C(C)CNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
The InChIKey is JBIOEHSQQGKSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)8-12-10(6-7-13)11(3,4)5/h10,12-13H,1,6-8H2,2-5H3.
What are the key properties of 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol?
4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol is sourced from PubChem (CID 103949823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).