4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol

C12H25NO — CID 106547377

IUPAC4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNCC(C)(C)CCCO
InChIInChI=1S/C12H25NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h6,13-14H,5,7-10H2,1-4H3
InChIKeyVEKAPHFXWMJXHI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds7

About 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol

4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol (PubChem CID 106547377) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
PubChem CID106547377
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNCC(C)(C)CCCO
InChIInChI=1S/C12H25NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h6,13-14H,5,7-10H2,1-4H3
InChIKeyVEKAPHFXWMJXHI-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
6-(3-methylbut-2-enylamino)hexan-1-ol
CID 106547380
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
5-(2-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147089
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
N-(2-ethoxy-2-methylpropyl)-3-methylbut-2-en-1-amine
CID 106547422
5-(cyclohexylmethylamino)-4,4-dimethylpentan-1-ol
CID 103897688
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol (CID 106547377) is 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol is CC(C)=CCNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol?
The InChIKey is VEKAPHFXWMJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)6-8-13-10-12(3,4)7-5-9-14/h6,13-14H,5,7-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol?
4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(3-methylbut-2-enylamino)pentan-1-ol is sourced from PubChem (CID 106547377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).