2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine

C12H27NO — CID 91040052

IUPAC2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine
SMILESCCCC(C)(CC)OCCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-6-8-12(5,7-2)14-10-9-11(3,4)13/h6-10,13H2,1-5H3
InChIKeyNNSRZGZLATWXTB-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.10
Rot. Bonds7

About 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine

2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine (PubChem CID 91040052) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine
PubChem CID91040052
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine
SMILESCCCC(C)(CC)OCCC(C)(C)N
InChIInChI=1S/C12H27NO/c1-6-8-12(5,7-2)14-10-9-11(3,4)13/h6-10,13H2,1-5H3
InChIKeyNNSRZGZLATWXTB-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine?
The IUPAC name of 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine (CID 91040052) is 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine?
The canonical SMILES for 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine is CCCC(C)(CC)OCCC(C)(C)N.
What is the InChIKey of 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine?
The InChIKey is NNSRZGZLATWXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-8-12(5,7-2)14-10-9-11(3,4)13/h6-10,13H2,1-5H3.
What are the key properties of 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine?
2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylhexan-3-yloxy)butan-2-amine is sourced from PubChem (CID 91040052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).