N-tert-butyl-3-ethylpentan-3-amine

C11H25N — CID 14661527

IUPACN-tert-butyl-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-11(8-2,9-3)12-10(4,5)6/h12H,7-9H2,1-6H3
InChIKeyDZHDLKKTUZSXJU-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.34
Rot. Bonds4

About N-tert-butyl-3-ethylpentan-3-amine

N-tert-butyl-3-ethylpentan-3-amine (PubChem CID 14661527) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-tert-butyl-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-3-ethylpentan-3-amine
PubChem CID14661527
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-tert-butyl-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-11(8-2,9-3)12-10(4,5)6/h12H,7-9H2,1-6H3
InChIKeyDZHDLKKTUZSXJU-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3-ethylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethylpentan-3-amine?
The IUPAC name of N-tert-butyl-3-ethylpentan-3-amine (CID 14661527) is N-tert-butyl-3-ethylpentan-3-amine.
What is the SMILES notation for N-tert-butyl-3-ethylpentan-3-amine?
The canonical SMILES for N-tert-butyl-3-ethylpentan-3-amine is CCC(CC)(CC)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-ethylpentan-3-amine?
The InChIKey is DZHDLKKTUZSXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-7-11(8-2,9-3)12-10(4,5)6/h12H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-3-ethylpentan-3-amine?
N-tert-butyl-3-ethylpentan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethylpentan-3-amine is sourced from PubChem (CID 14661527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).