2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine

C11H25NO — CID 134406960

IUPAC2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
SMILESCC(OC(C)(C)C)C(N)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-8(13-11(5,6)7)9(12)10(2,3)4/h8-9H,12H2,1-7H3
InChIKeyOXZIVCZAJXWAID-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.56
Rot. Bonds2

About 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine

2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine (PubChem CID 134406960) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
PubChem CID134406960
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine
SMILESCC(OC(C)(C)C)C(N)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-8(13-11(5,6)7)9(12)10(2,3)4/h8-9H,12H2,1-7H3
InChIKeyOXZIVCZAJXWAID-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]ethanamine;hydrobromide
CID 173066924
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpentan-3-amine
CID 15632284
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
1-[1-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 87508995
(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 153463762
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
CID 91085775
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
3,3-dimethylbutan-2-amine;N-methylmethanamine
CID 143170120
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine (CID 134406960) is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine is CC(OC(C)(C)C)C(N)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
The InChIKey is OXZIVCZAJXWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-8(13-11(5,6)7)9(12)10(2,3)4/h8-9H,12H2,1-7H3.
What are the key properties of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine?
2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pentan-3-amine is sourced from PubChem (CID 134406960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).