5,5-dimethyl-1-propan-2-yloxyhexan-2-amine

C11H25NO — CID 105140004

IUPAC5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
SMILESCC(C)OCC(N)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)13-8-10(12)6-7-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyISLRNVIIFIZBEW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds5

About 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine

5,5-dimethyl-1-propan-2-yloxyhexan-2-amine (PubChem CID 105140004) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
PubChem CID105140004
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5,5-dimethyl-1-propan-2-yloxyhexan-2-amine
SMILESCC(C)OCC(N)CCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)13-8-10(12)6-7-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyISLRNVIIFIZBEW-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
1-N,1-N-dimethyl-4-propan-2-yloxybutane-1,3-diamine
CID 115346211
(2S)-4-methyl-1-propan-2-yloxypentan-2-amine
CID 28802452
6,6-dimethylheptan-3-amine;hydrochloride
CID 170889059
(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
1-ethylsulfanyl-5,5-dimethylhexan-2-amine
CID 65128014
3,3-dimethyl-1-propan-2-yloxy-2-(propan-2-yloxymethyl)butane
CID 126681009
1-amino-4,4-dimethylpentan-1-ol
CID 88636806
3-ethyl-1-propan-2-yloxypentan-2-amine
CID 105013387
1-(4,4-dimethylpentoxy)ethanamine
CID 134445550
2-methoxy-2,6,6-trimethylheptan-3-amine
CID 79198118

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine?
The IUPAC name of 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine (CID 105140004) is 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine.
What is the SMILES notation for 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine?
The canonical SMILES for 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine is CC(C)OCC(N)CCC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine?
The InChIKey is ISLRNVIIFIZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)13-8-10(12)6-7-11(3,4)5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine?
5,5-dimethyl-1-propan-2-yloxyhexan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propan-2-yloxyhexan-2-amine is sourced from PubChem (CID 105140004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).