1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol

C14H30N2OS — CID 114123069

IUPAC1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCC(SC)C1
InChIInChI=1S/C14H30N2OS/c1-4-16(5-2)11-13(17)10-15-12-7-6-8-14(9-12)18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyCMMDDZOXSKVCLA-UHFFFAOYSA-N
MW274.47 g/mol
LogP1.95
Rot. Bonds8

About 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol

1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol (PubChem CID 114123069) has the molecular formula C14H30N2OS and a molecular weight of 274.47 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol
PubChem CID114123069
Molecular FormulaC14H30N2OS
Molecular Weight274.47 g/mol
Exact Mass274.21
IUPAC Name1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol
SMILESCCN(CC)CC(O)CNC1CCCC(SC)C1
InChIInChI=1S/C14H30N2OS/c1-4-16(5-2)11-13(17)10-15-12-7-6-8-14(9-12)18-3/h12-15,17H,4-11H2,1-3H3
InChIKeyCMMDDZOXSKVCLA-UHFFFAOYSA-N
XLogP1.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64743461
1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114123153
1-(dimethylamino)-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 60899512
N-(4-methylpentyl)-3-methylsulfanylcyclohexan-1-amine
CID 102672223
1-(diethylamino)-3-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 55033366
N-(2-methylpropyl)-3-methylsulfanylcyclopentan-1-amine
CID 115876615
1-(cyclobutylamino)butan-2-ol
CID 62416322
3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 115876683
N-[(4-ethylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103675931
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
2,6-difluoro-4-[[(3-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103735291
1-cyclopentyl-3-[(4-methylsulfanylcyclohexyl)amino]propan-2-ol
CID 114123365

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol (CID 114123069) is 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol is CCN(CC)CC(O)CNC1CCCC(SC)C1.
What is the InChIKey of 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol?
The InChIKey is CMMDDZOXSKVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OS/c1-4-16(5-2)11-13(17)10-15-12-7-6-8-14(9-12)18-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol?
1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol has a molecular weight of 274.47 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 114123069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).