3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine

C14H25NS — CID 107270095

IUPAC3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C14H25NS/c1-16-14(7-8-14)10-15-13-4-2-3-12(9-13)11-5-6-11/h11-13,15H,2-10H2,1H3
InChIKeyYBVHCKJQGLXXBZ-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.44
Rot. Bonds5

About 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine

3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 107270095) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID107270095
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCSC1(CNC2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C14H25NS/c1-16-14(7-8-14)10-15-13-4-2-3-12(9-13)11-5-6-11/h11-13,15H,2-10H2,1H3
InChIKeyYBVHCKJQGLXXBZ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine (CID 107270095) is 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine is CSC1(CNC2CCCC(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is YBVHCKJQGLXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-16-14(7-8-14)10-15-13-4-2-3-12(9-13)11-5-6-11/h11-13,15H,2-10H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine?
3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 107270095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).