N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine

C13H25NO — CID 104586206

IUPACN-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(10-14-13-3-2-4-13)9-12-5-7-15-8-6-12/h11-14H,2-10H2,1H3
InChIKeyZNLHKMUQDKWFGB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds5

About N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine

N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine (PubChem CID 104586206) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
PubChem CID104586206
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)CC1CCOCC1
InChIInChI=1S/C13H25NO/c1-11(10-14-13-3-2-4-13)9-12-5-7-15-8-6-12/h11-14H,2-10H2,1H3
InChIKeyZNLHKMUQDKWFGB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134
2-methyl-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62529489
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
CID 114899221
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-[1-(oxan-4-yl)propan-2-yl]cyclopentanamine
CID 115704973
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
N-(2-methylbutyl)cyclopentanamine
CID 43200714

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine?
The IUPAC name of N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine (CID 104586206) is N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine.
What is the SMILES notation for N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine?
The canonical SMILES for N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine is CC(CNC1CCC1)CC1CCOCC1.
What is the InChIKey of N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine?
The InChIKey is ZNLHKMUQDKWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(10-14-13-3-2-4-13)9-12-5-7-15-8-6-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine?
N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine is sourced from PubChem (CID 104586206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).