N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine

C14H30N2 — CID 80998398

IUPACN-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(C)CCC
InChIInChI=1S/C14H30N2/c1-5-7-12(3)16(4)14-9-8-13(14)11-15-10-6-2/h12-15H,5-11H2,1-4H3
InChIKeyOZQOYYPNGVBTPI-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds8

About N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine

N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine (PubChem CID 80998398) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
PubChem CID80998398
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(C)CCC
InChIInChI=1S/C14H30N2/c1-5-7-12(3)16(4)14-9-8-13(14)11-15-10-6-2/h12-15H,5-11H2,1-4H3
InChIKeyOZQOYYPNGVBTPI-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-pentan-2-yl-2-(propylaminomethyl)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

Related Compounds

N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 112665784
N,N-dipropyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80999442
N-[(2-pentan-2-ylcyclobutyl)methyl]propan-1-amine
CID 107889334
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 81005048
N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
CID 81004984
N-(2-methoxyethyl)-N-propan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 82953360
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998787
N-[(2-butan-2-ylcyclobutyl)methyl]propan-1-amine
CID 81018359
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999159
N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998378

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine (CID 80998398) is N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine is CCCNCC1CCC1N(C)C(C)CCC.
What is the InChIKey of N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine?
The InChIKey is OZQOYYPNGVBTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-7-12(3)16(4)14-9-8-13(14)11-15-10-6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine?
N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).