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

C14H30N2S — CID 112665784

IUPACN-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(CC)CSC
InChIInChI=1S/C14H30N2S/c1-5-9-15-10-12-7-8-14(12)16(3)13(6-2)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyKEQMAPZCVNEABN-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds9

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

N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine (PubChem CID 112665784) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
PubChem CID112665784
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC NameN-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)C(CC)CSC
InChIInChI=1S/C14H30N2S/c1-5-9-15-10-12-7-8-14(12)16(3)13(6-2)11-17-4/h12-15H,5-11H2,1-4H3
InChIKeyKEQMAPZCVNEABN-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998398
N-methyl-2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 112665966
N,N-dipropyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80999442
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 81005048
2-(aminomethyl)-N-methyl-N-pentan-3-ylcyclobutan-1-amine
CID 80998114
N-[(2-butan-2-ylcyclobutyl)methyl]propan-1-amine
CID 81018359
1-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1,4-diamine
CID 114763561
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
3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
CID 103227188
N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
CID 81004984
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine (CID 112665784) is N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine is CCCNCC1CCC1N(C)C(CC)CSC.
What is the InChIKey of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
The InChIKey is KEQMAPZCVNEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-5-9-15-10-12-7-8-14(12)16(3)13(6-2)11-17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine?
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 112665784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).