2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine

C12H27NO — CID 88726710

IUPAC2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine
SMILESCC(CN)CCCCCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(10-13)8-6-5-7-9-14-12(2,3)4/h11H,5-10,13H2,1-4H3
InChIKeyZINKEGGTLOPPNC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds7

About 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine

2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine (PubChem CID 88726710) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine.

Molecular Properties

Compound Name2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine
PubChem CID88726710
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine
SMILESCC(CN)CCCCCOC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(10-13)8-6-5-7-9-14-12(2,3)4/h11H,5-10,13H2,1-4H3
InChIKeyZINKEGGTLOPPNC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine?
The IUPAC name of 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine (CID 88726710) is 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine.
What is the SMILES notation for 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine?
The canonical SMILES for 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine is CC(CN)CCCCCOC(C)(C)C.
What is the InChIKey of 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine?
The InChIKey is ZINKEGGTLOPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(10-13)8-6-5-7-9-14-12(2,3)4/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine?
2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-1-amine is sourced from PubChem (CID 88726710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).