4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline

C15H24N2S — CID 112661104

IUPAC4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
SMILESCSCC(C)N(C)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2S/c1-12(10-18-3)17(2)11-15(8-9-15)13-4-6-14(16)7-5-13/h4-7,12H,8-11,16H2,1-3H3
InChIKeyMJBJQGODORVUFZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.98
Rot. Bonds6

About 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline

4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline (PubChem CID 112661104) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
PubChem CID112661104
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
SMILESCSCC(C)N(C)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2S/c1-12(10-18-3)17(2)11-15(8-9-15)13-4-6-14(16)7-5-13/h4-7,12H,8-11,16H2,1-3H3
InChIKeyMJBJQGODORVUFZ-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline (CID 112661104) is 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline is CSCC(C)N(C)CC1(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline?
The InChIKey is MJBJQGODORVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-12(10-18-3)17(2)11-15(8-9-15)13-4-6-14(16)7-5-13/h4-7,12H,8-11,16H2,1-3H3.
What are the key properties of 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline?
4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline has a molecular weight of 264.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 112661104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).