2,2-dimethyl-5-pentan-2-yloxypentan-1-amine

C12H27NO — CID 102980855

IUPAC2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
SMILESCCCC(C)OCCCC(C)(C)CN
InChIInChI=1S/C12H27NO/c1-5-7-11(2)14-9-6-8-12(3,4)10-13/h11H,5-10,13H2,1-4H3
InChIKeyHSEBUBRDSSCCFA-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds8

About 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine

2,2-dimethyl-5-pentan-2-yloxypentan-1-amine (PubChem CID 102980855) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
PubChem CID102980855
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
SMILESCCCC(C)OCCCC(C)(C)CN
InChIInChI=1S/C12H27NO/c1-5-7-11(2)14-9-6-8-12(3,4)10-13/h11H,5-10,13H2,1-4H3
InChIKeyHSEBUBRDSSCCFA-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-pentan-2-yloxypentanimidamide
CID 102982171
2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
CID 102988227
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
N',2,2-trimethyl-N'-pentan-2-ylpentane-1,5-diamine
CID 65254460
2,2-dimethyloctan-1-amine
CID 62739423
ethane;2,2,7-trimethyloctan-1-amine
CID 142541342
ethyl 2-(cyclopropylamino)-2-methyl-5-pentan-2-yloxypentanoate
CID 102984108
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
3-(3-aminopropoxy)butan-1-amine
CID 165053672
2-butoxyhexane;ethane
CID 144590910
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine (CID 102980855) is 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine is CCCC(C)OCCCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine?
The InChIKey is HSEBUBRDSSCCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-11(2)14-9-6-8-12(3,4)10-13/h11H,5-10,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine?
2,2-dimethyl-5-pentan-2-yloxypentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pentan-2-yloxypentan-1-amine is sourced from PubChem (CID 102980855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).