3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine

C11H25NO — CID 118011674

IUPAC3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine
SMILESCCC(C)(C)C(CN)COC(C)C
InChIInChI=1S/C11H25NO/c1-6-11(4,5)10(7-12)8-13-9(2)3/h9-10H,6-8,12H2,1-5H3
InChIKeyHBPANWNVEPZBMC-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds6

About 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine

3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine (PubChem CID 118011674) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine
PubChem CID118011674
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine
SMILESCCC(C)(C)C(CN)COC(C)C
InChIInChI=1S/C11H25NO/c1-6-11(4,5)10(7-12)8-13-9(2)3/h9-10H,6-8,12H2,1-5H3
InChIKeyHBPANWNVEPZBMC-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine (CID 118011674) is 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine is CCC(C)(C)C(CN)COC(C)C.
What is the InChIKey of 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine?
The InChIKey is HBPANWNVEPZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-11(4,5)10(7-12)8-13-9(2)3/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine?
3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(propan-2-yloxymethyl)pentan-1-amine is sourced from PubChem (CID 118011674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).