2,4,4-trimethyl-N-propan-2-ylpentan-2-amine

C11H25N — CID 21043847

IUPAC2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-9(2)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3
InChIKeyAFVHTMKOEBCJIK-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds3

About 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine

2,4,4-trimethyl-N-propan-2-ylpentan-2-amine (PubChem CID 21043847) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
PubChem CID21043847
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,4,4-trimethyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H25N/c1-9(2)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3
InChIKeyAFVHTMKOEBCJIK-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine (CID 21043847) is 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine is CC(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
The InChIKey is AFVHTMKOEBCJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)12-11(6,7)8-10(3,4)5/h9,12H,8H2,1-7H3.
What are the key properties of 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine?
2,4,4-trimethyl-N-propan-2-ylpentan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 21043847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).