N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

C13H20N2S — CID 115244133

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCC2(CN)CC2)cc1
InChIInChI=1S/C13H20N2S/c1-16-12-4-2-11(3-5-12)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3
InChIKeyQXVVNTYTAAEYFA-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.24
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (PubChem CID 115244133) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
PubChem CID115244133
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(CNCC2(CN)CC2)cc1
InChIInChI=1S/C13H20N2S/c1-16-12-4-2-11(3-5-12)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3
InChIKeyQXVVNTYTAAEYFA-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N'-[[4-[[[1-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methyl]propane-1,3-diamine
CID 70658066
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(3-methoxyphenyl)methanamine
CID 115244164

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine (CID 115244133) is N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is CSc1ccc(CNCC2(CN)CC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
The InChIKey is QXVVNTYTAAEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-16-12-4-2-11(3-5-12)8-15-10-13(9-14)6-7-13/h2-5,15H,6-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine has a molecular weight of 236.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115244133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).