5-methoxy-5-methyl-2-propylhexan-1-amine

C11H25NO — CID 103036614

IUPAC5-methoxy-5-methyl-2-propylhexan-1-amine
SMILESCCCC(CN)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-10(9-12)7-8-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeySCRMBCVJBWOPNG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds7

About 5-methoxy-5-methyl-2-propylhexan-1-amine

5-methoxy-5-methyl-2-propylhexan-1-amine (PubChem CID 103036614) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-methoxy-5-methyl-2-propylhexan-1-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-2-propylhexan-1-amine
PubChem CID103036614
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-methoxy-5-methyl-2-propylhexan-1-amine
SMILESCCCC(CN)CCC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-10(9-12)7-8-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeySCRMBCVJBWOPNG-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-2-propylhexan-1-amine?
The IUPAC name of 5-methoxy-5-methyl-2-propylhexan-1-amine (CID 103036614) is 5-methoxy-5-methyl-2-propylhexan-1-amine.
What is the SMILES notation for 5-methoxy-5-methyl-2-propylhexan-1-amine?
The canonical SMILES for 5-methoxy-5-methyl-2-propylhexan-1-amine is CCCC(CN)CCC(C)(C)OC.
What is the InChIKey of 5-methoxy-5-methyl-2-propylhexan-1-amine?
The InChIKey is SCRMBCVJBWOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-10(9-12)7-8-11(2,3)13-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-2-propylhexan-1-amine?
5-methoxy-5-methyl-2-propylhexan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-2-propylhexan-1-amine is sourced from PubChem (CID 103036614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).