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

C12H25NO — CID 104628073

IUPAC4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)6-8-13-11(7-9-14)12(3,4)5/h6,11,13-14H,7-9H2,1-5H3
InChIKeyROGSGXYWJSFDNZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds5

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

4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol (PubChem CID 104628073) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
PubChem CID104628073
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNC(CCO)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(2)6-8-13-11(7-9-14)12(3,4)5/h6,11,13-14H,7-9H2,1-5H3
InChIKeyROGSGXYWJSFDNZ-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.34
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

2,2-Dimethyl-3-(3-methylbut-2-enylamino)cyclobutan-1-ol
CID 103522628
4-(3-Methylbut-2-enylamino)pentan-1-ol
CID 103522661
3-(3-Methylbut-2-enylamino)butan-1-ol
CID 103522708
3-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103774848
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbut-2-enamide
CID 103940975
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
4,4-Dimethyl-3-(prop-2-enylamino)pentan-1-ol
CID 103949835
3-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 103949892
4,4-Dimethyl-3-(pent-4-enylamino)pentan-1-ol
CID 104627994
3-[[(E)-3-chloroprop-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628018
3-[[(E)-but-2-enyl]amino]-4,4-dimethylpentan-1-ol
CID 104628148
3-(But-3-enylamino)-4,4-dimethylpentan-1-ol
CID 104628256

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol (CID 104628073) is 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol is CC(C)=CCNC(CCO)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol?
The InChIKey is ROGSGXYWJSFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)6-8-13-11(7-9-14)12(3,4)5/h6,11,13-14H,7-9H2,1-5H3.
What are the key properties of 4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol?
4,4-dimethyl-3-(3-methylbut-2-enylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 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-(3-methylbut-2-enylamino)pentan-1-ol is sourced from PubChem (CID 104628073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).