N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine

C15H33N — CID 91229612

IUPACN-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
SMILESCC(N(C)C(C)(C)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-12(14(5,6)7)16(10)15(8,9)11-13(2,3)4/h12H,11H2,1-10H3
InChIKeyCDEZBCJQYZMOOT-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine

N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine (PubChem CID 91229612) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
PubChem CID91229612
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine
SMILESCC(N(C)C(C)(C)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-12(14(5,6)7)16(10)15(8,9)11-13(2,3)4/h12H,11H2,1-10H3
InChIKeyCDEZBCJQYZMOOT-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine (CID 91229612) is N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine is CC(N(C)C(C)(C)CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine?
The InChIKey is CDEZBCJQYZMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-12(14(5,6)7)16(10)15(8,9)11-13(2,3)4/h12H,11H2,1-10H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine?
N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine has a molecular weight of 227.44 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N,2,4,4-tetramethylpentan-2-amine is sourced from PubChem (CID 91229612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).