N-ethyl-2,2,4,4-tetramethylpentan-1-amine

C11H25N — CID 142123561

IUPACN-ethyl-2,2,4,4-tetramethylpentan-1-amine
SMILESCCNCC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-12-9-11(5,6)8-10(2,3)4/h12H,7-9H2,1-6H3
InChIKeyONCIYRWUJUBPKF-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-2,2,4,4-tetramethylpentan-1-amine

N-ethyl-2,2,4,4-tetramethylpentan-1-amine (PubChem CID 142123561) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-ethyl-2,2,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2,4,4-tetramethylpentan-1-amine
PubChem CID142123561
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-ethyl-2,2,4,4-tetramethylpentan-1-amine
SMILESCCNCC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-12-9-11(5,6)8-10(2,3)4/h12H,7-9H2,1-6H3
InChIKeyONCIYRWUJUBPKF-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,4,4-tetramethylpentan-1-amine?
The IUPAC name of N-ethyl-2,2,4,4-tetramethylpentan-1-amine (CID 142123561) is N-ethyl-2,2,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for N-ethyl-2,2,4,4-tetramethylpentan-1-amine?
The canonical SMILES for N-ethyl-2,2,4,4-tetramethylpentan-1-amine is CCNCC(C)(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-2,2,4,4-tetramethylpentan-1-amine?
The InChIKey is ONCIYRWUJUBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-12-9-11(5,6)8-10(2,3)4/h12H,7-9H2,1-6H3.
What are the key properties of N-ethyl-2,2,4,4-tetramethylpentan-1-amine?
N-ethyl-2,2,4,4-tetramethylpentan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 142123561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).