3-[(2-methylpropan-2-yl)oxy]heptan-4-amine

C11H25NO — CID 43127622

IUPAC3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
SMILESCCCC(N)C(CC)OC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-8-9(12)10(7-2)13-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyNPPVDSLXMBTLAR-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.71
Rot. Bonds5

About 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine

3-[(2-methylpropan-2-yl)oxy]heptan-4-amine (PubChem CID 43127622) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
PubChem CID43127622
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-[(2-methylpropan-2-yl)oxy]heptan-4-amine
SMILESCCCC(N)C(CC)OC(C)(C)C
InChIInChI=1S/C11H25NO/c1-6-8-9(12)10(7-2)13-11(3,4)5/h9-10H,6-8,12H2,1-5H3
InChIKeyNPPVDSLXMBTLAR-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine (CID 43127622) is 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine is CCCC(N)C(CC)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine?
The InChIKey is NPPVDSLXMBTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8-9(12)10(7-2)13-11(3,4)5/h9-10H,6-8,12H2,1-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine?
3-[(2-methylpropan-2-yl)oxy]heptan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]heptan-4-amine is sourced from PubChem (CID 43127622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).