N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine

C12H26N2S — CID 103088482

IUPACN,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine
SMILESCSCCCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H26N2S/c1-14(2)12(7-6-8-12)11-13-9-4-5-10-15-3/h13H,4-11H2,1-3H3
InChIKeyZOHVMUROYXZHRR-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds8

About N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine (PubChem CID 103088482) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine
PubChem CID103088482
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine
SMILESCSCCCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H26N2S/c1-14(2)12(7-6-8-12)11-13-9-4-5-10-15-3/h13H,4-11H2,1-3H3
InChIKeyZOHVMUROYXZHRR-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-1-[(4-methylsulfanylbutylamino)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-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine (CID 103088482) is N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine is CSCCCCNCC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine?
The InChIKey is ZOHVMUROYXZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-14(2)12(7-6-8-12)11-13-9-4-5-10-15-3/h13H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylsulfanylbutylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).