4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine

C13H30N2O — CID 122683385

IUPAC4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OC(C)CC(C)(C)N
InChIInChI=1S/C13H30N2O/c1-7-13(6,8-10(2)14)16-11(3)9-12(4,5)15/h10-11H,7-9,14-15H2,1-6H3
InChIKeyQAYSEIBHXSKJDH-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.42
Rot. Bonds7

About 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine

4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine (PubChem CID 122683385) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine.

Molecular Properties

Compound Name4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine
PubChem CID122683385
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine
SMILESCCC(C)(CC(C)N)OC(C)CC(C)(C)N
InChIInChI=1S/C13H30N2O/c1-7-13(6,8-10(2)14)16-11(3)9-12(4,5)15/h10-11H,7-9,14-15H2,1-6H3
InChIKeyQAYSEIBHXSKJDH-UHFFFAOYSA-N
XLogP2.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine?
The IUPAC name of 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine (CID 122683385) is 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine.
What is the SMILES notation for 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine?
The canonical SMILES for 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine is CCC(C)(CC(C)N)OC(C)CC(C)(C)N.
What is the InChIKey of 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine?
The InChIKey is QAYSEIBHXSKJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(6,8-10(2)14)16-11(3)9-12(4,5)15/h10-11H,7-9,14-15H2,1-6H3.
What are the key properties of 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine?
4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpentan-2-yl)oxy-4-methylhexan-2-amine is sourced from PubChem (CID 122683385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).