N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine

C13H28N2 — CID 170185971

IUPACN,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
SMILESCCN(CC)C1(CN(C)C(C)C)CCC1
InChIInChI=1S/C13H28N2/c1-6-15(7-2)13(9-8-10-13)11-14(5)12(3)4/h12H,6-11H2,1-5H3
InChIKeyVELAROBSFICCJX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.59
Rot. Bonds6

About N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine

N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine (PubChem CID 170185971) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
PubChem CID170185971
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
SMILESCCN(CC)C1(CN(C)C(C)C)CCC1
InChIInChI=1S/C13H28N2/c1-6-15(7-2)13(9-8-10-13)11-14(5)12(3)4/h12H,6-11H2,1-5H3
InChIKeyVELAROBSFICCJX-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-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,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine (CID 170185971) is N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine is CCN(CC)C1(CN(C)C(C)C)CCC1.
What is the InChIKey of N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine?
The InChIKey is VELAROBSFICCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-15(7-2)13(9-8-10-13)11-14(5)12(3)4/h12H,6-11H2,1-5H3.
What are the key properties of N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine?
N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 170185971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).