4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine

C21H46N2O — CID 142989909

IUPAC4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C21H46N2O/c1-16(2)13-18(5,6)23-19(7,8)15-21(11,12)24-20(9,10)14-17(3,4)22/h16,23H,13-15,22H2,1-12H3
InChIKeyCNBJSBSORAIBHD-UHFFFAOYSA-N
MW342.61 g/mol
LogP5.27
Rot. Bonds10

About 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine

4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine (PubChem CID 142989909) has the molecular formula C21H46N2O and a molecular weight of 342.61 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine
PubChem CID142989909
Molecular FormulaC21H46N2O
Molecular Weight342.61 g/mol
Exact Mass342.36
IUPAC Name4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N
InChIInChI=1S/C21H46N2O/c1-16(2)13-18(5,6)23-19(7,8)15-21(11,12)24-20(9,10)14-17(3,4)22/h16,23H,13-15,22H2,1-12H3
InChIKeyCNBJSBSORAIBHD-UHFFFAOYSA-N
XLogP5.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

4-[2,4-Dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 142989908
4-(4-Amino-2,4-dimethylpentan-2-yl)oxy-2,4-dimethylpentan-2-amine
CID 156088686
N-tert-butyl-4-(2,2-dimethylpropoxy)-2,4-dimethylpentan-2-amine
CID 156714532

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine (CID 142989909) is 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine is CC(C)CC(C)(C)NC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)N.
What is the InChIKey of 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
The InChIKey is CNBJSBSORAIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2O/c1-16(2)13-18(5,6)23-19(7,8)15-21(11,12)24-20(9,10)14-17(3,4)22/h16,23H,13-15,22H2,1-12H3.
What are the key properties of 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine?
4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine has a molecular weight of 342.61 g/mol, XLogP of 5.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylpentan-2-ylamino)-2,4-dimethylpentan-2-yl]oxy-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 142989909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).