N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine

C14H29N — CID 118247212

IUPACN-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)C1CC(N(C)CC)C1(C)C
InChIInChI=1S/C14H29N/c1-7-9-11(3)12-10-13(14(12,4)5)15(6)8-2/h11-13H,7-10H2,1-6H3
InChIKeyUKTCLUIBSKFRIU-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds5

About N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine

N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine (PubChem CID 118247212) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine
PubChem CID118247212
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine
SMILESCCCC(C)C1CC(N(C)CC)C1(C)C
InChIInChI=1S/C14H29N/c1-7-9-11(3)12-10-13(14(12,4)5)15(6)8-2/h11-13H,7-10H2,1-6H3
InChIKeyUKTCLUIBSKFRIU-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-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-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine?
The IUPAC name of N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine (CID 118247212) is N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine is CCCC(C)C1CC(N(C)CC)C1(C)C.
What is the InChIKey of N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine?
The InChIKey is UKTCLUIBSKFRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-9-11(3)12-10-13(14(12,4)5)15(6)8-2/h11-13H,7-10H2,1-6H3.
What are the key properties of N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine?
N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,2-trimethyl-3-pentan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 118247212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).