5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine

C13H28N2OS — CID 114122602

IUPAC5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCC(SC)CC1
InChIInChI=1S/C13H28N2OS/c1-16-10-12(4-3-9-14)15-11-5-7-13(17-2)8-6-11/h11-13,15H,3-10,14H2,1-2H3
InChIKeyRYLKNEMAXYVRLM-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.00
Rot. Bonds8

About 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine

5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine (PubChem CID 114122602) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
PubChem CID114122602
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCC(SC)CC1
InChIInChI=1S/C13H28N2OS/c1-16-10-12(4-3-9-14)15-11-5-7-13(17-2)8-6-11/h11-13,15H,3-10,14H2,1-2H3
InChIKeyRYLKNEMAXYVRLM-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
CID 103387909
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390009
4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390345
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
CID 115728475
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
2-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103390240
4-methoxy-3-[[4-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
CID 104844749

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine (CID 114122602) is 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine is COCC(CCCN)NC1CCC(SC)CC1.
What is the InChIKey of 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine?
The InChIKey is RYLKNEMAXYVRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-16-10-12(4-3-9-14)15-11-5-7-13(17-2)8-6-11/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine?
5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine has a molecular weight of 260.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine is sourced from PubChem (CID 114122602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).