N,2,2-triethyl-3-propoxycyclobutan-1-amine

C13H27NO — CID 66358672

IUPACN,2,2-triethyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(NCC)C1(CC)CC
InChIInChI=1S/C13H27NO/c1-5-9-15-12-10-11(14-8-4)13(12,6-2)7-3/h11-12,14H,5-10H2,1-4H3
InChIKeyAPDLXWFCEKJXME-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About N,2,2-triethyl-3-propoxycyclobutan-1-amine

N,2,2-triethyl-3-propoxycyclobutan-1-amine (PubChem CID 66358672) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N,2,2-triethyl-3-propoxycyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-propoxycyclobutan-1-amine
PubChem CID66358672
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN,2,2-triethyl-3-propoxycyclobutan-1-amine
SMILESCCCOC1CC(NCC)C1(CC)CC
InChIInChI=1S/C13H27NO/c1-5-9-15-12-10-11(14-8-4)13(12,6-2)7-3/h11-12,14H,5-10H2,1-4H3
InChIKeyAPDLXWFCEKJXME-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,2-triethyl-3-propoxycyclobutan-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,2,2-triethyl-3-propoxycyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-propoxycyclobutan-1-amine (CID 66358672) is N,2,2-triethyl-3-propoxycyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-propoxycyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-propoxycyclobutan-1-amine is CCCOC1CC(NCC)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-propoxycyclobutan-1-amine?
The InChIKey is APDLXWFCEKJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-9-15-12-10-11(14-8-4)13(12,6-2)7-3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,2,2-triethyl-3-propoxycyclobutan-1-amine?
N,2,2-triethyl-3-propoxycyclobutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-3-propoxycyclobutan-1-amine is sourced from PubChem (CID 66358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).