N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C14H28N2S — CID 107132681

IUPACN-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)C1CCSC1
InChIInChI=1S/C14H28N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h11-14H,3-10,15H2,1-2H3
InChIKeyFMFRZDNVGIKBKU-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132681) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132681
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)C1CCSC1
InChIInChI=1S/C14H28N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h11-14H,3-10,15H2,1-2H3
InChIKeyFMFRZDNVGIKBKU-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132681) is N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine is CC1CCCCC1N(C)C(CN)C1CCSC1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is FMFRZDNVGIKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-11-5-3-4-6-13(11)16(2)14(9-15)12-7-8-17-10-12/h11-14H,3-10,15H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 256.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).