1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine

C16H29N3S — CID 79760472

IUPAC1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSC1CCCCC1)Cc1nccn1C
InChIInChI=1S/C16H29N3S/c1-3-9-17-14(12-16-18-10-11-19(16)2)13-20-15-7-5-4-6-8-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyQPWDROCQTWCCNY-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds8

About 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine

1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine (PubChem CID 79760472) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
PubChem CID79760472
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(CSC1CCCCC1)Cc1nccn1C
InChIInChI=1S/C16H29N3S/c1-3-9-17-14(12-16-18-10-11-19(16)2)13-20-15-7-5-4-6-8-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyQPWDROCQTWCCNY-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
CID 105227664
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
CID 65144446
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-cyclopentylsulfanyl-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 65140219
1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167081

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine (CID 79760472) is 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine is CCCNC(CSC1CCCCC1)Cc1nccn1C.
What is the InChIKey of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is QPWDROCQTWCCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-3-9-17-14(12-16-18-10-11-19(16)2)13-20-15-7-5-4-6-8-15/h10-11,14-15,17H,3-9,12-13H2,1-2H3.
What are the key properties of 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine?
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 79760472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).