5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol

C13H29NO2 — CID 106144667

IUPAC5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
SMILESCOC(C)(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO2/c1-12(2,7-6-10-15)11-14-9-8-13(3,4)16-5/h14-15H,6-11H2,1-5H3
InChIKeyKJFUVJMBNQEVDG-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.19
Rot. Bonds9

About 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol

5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106144667) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106144667
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
SMILESCOC(C)(C)CCNCC(C)(C)CCCO
InChIInChI=1S/C13H29NO2/c1-12(2,7-6-10-15)11-14-9-8-13(3,4)16-5/h14-15H,6-11H2,1-5H3
InChIKeyKJFUVJMBNQEVDG-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
7-methoxy-7-methyloctan-1-ol
CID 175444354
3-[(3-methoxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 103033421
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol (CID 106144667) is 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol is COC(C)(C)CCNCC(C)(C)CCCO.
What is the InChIKey of 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is KJFUVJMBNQEVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2,7-6-10-15)11-14-9-8-13(3,4)16-5/h14-15H,6-11H2,1-5H3.
What are the key properties of 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol?
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106144667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).