4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine

C12H28N2O — CID 88918256

IUPAC4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OCC(C)C(C)N
InChIInChI=1S/C12H28N2O/c1-6-12(5,7-10(3)13)15-8-9(2)11(4)14/h9-11H,6-8,13-14H2,1-5H3
InChIKeyDDVKHCYQBQJQRM-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.89
Rot. Bonds7

About 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine

4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine (PubChem CID 88918256) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine.

Molecular Properties

Compound Name4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine
PubChem CID88918256
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OCC(C)C(C)N
InChIInChI=1S/C12H28N2O/c1-6-12(5,7-10(3)13)15-8-9(2)11(4)14/h9-11H,6-8,13-14H2,1-5H3
InChIKeyDDVKHCYQBQJQRM-UHFFFAOYSA-N
XLogP1.89
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine?
The IUPAC name of 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine (CID 88918256) is 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine.
What is the SMILES notation for 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine?
The canonical SMILES for 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine is CCC(C)(CC(C)N)OCC(C)C(C)N.
What is the InChIKey of 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine?
The InChIKey is DDVKHCYQBQJQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-12(5,7-10(3)13)15-8-9(2)11(4)14/h9-11H,6-8,13-14H2,1-5H3.
What are the key properties of 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine?
4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylbutoxy)-4-methylhexan-2-amine is sourced from PubChem (CID 88918256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).