5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol

C12H27NO — CID 102672766

IUPAC5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(10-14)6-5-8-13-9-7-12(2,3)4/h11,13-14H,5-10H2,1-4H3
InChIKeyDGSBBAGRLCFPBX-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds7

About 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol

5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol (PubChem CID 102672766) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol
PubChem CID102672766
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(10-14)6-5-8-13-9-7-12(2,3)4/h11,13-14H,5-10H2,1-4H3
InChIKeyDGSBBAGRLCFPBX-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylpiperidin-4-yl)ethan-1-ol
CID 13419581
2-Methyl-2-(piperidin-4-yl)propan-1-ol
CID 13478140
(3-Methylpiperidin-3-yl)methanol
CID 19594566
2-(Piperidin-4-yl)propan-1-ol
CID 22928829
(3-Ethylpiperidin-3-yl)methanol hydrochloride
CID 75467424
2-(4-Methylpiperidin-4-yl)ethan-1-ol hydrochloride
CID 165761211
(3-(Propan-2-yl)piperidin-3-yl)methanol
CID 84072936
[3-(Methoxymethyl)piperidin-3-yl]methanol
CID 103984996
(3-Ethylpiperidin-3-YL)methanol
CID 44827704
2-(4-Methylpiperidin-4-yl)ethan-1-ol
CID 55286905
2-[(2S,3S)-2-fluoro-3,4-dimethylpyrrolidin-3-yl]propan-1-ol
CID 173992720
3-(1,5,9-Triazacyclododec-3-yl)propan-1-ol
CID 91025701

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol (CID 102672766) is 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol is CC(CO)CCCNCCC(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol?
The InChIKey is DGSBBAGRLCFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(10-14)6-5-8-13-9-7-12(2,3)4/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol?
5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 102672766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).