1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine

C16H29N3S — CID 114530277

IUPAC1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1nccn1C)CSC1CCCC1
InChIInChI=1S/C16H29N3S/c1-3-10-17-14(13-20-15-6-4-5-7-15)8-9-16-18-11-12-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeySPEOJQKAGIXLBG-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds9

About 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine

1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine (PubChem CID 114530277) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
PubChem CID114530277
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1nccn1C)CSC1CCCC1
InChIInChI=1S/C16H29N3S/c1-3-10-17-14(13-20-15-6-4-5-7-15)8-9-16-18-11-12-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3
InChIKeySPEOJQKAGIXLBG-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)-N-propylpropan-2-amine
CID 79760472
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 114530301
[1-cycloheptyl-4-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105340281
1-cyclohexylsulfanyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79752510
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
[1-cyclopentylsulfanyl-3-(1-ethylimidazol-2-yl)propan-2-yl]hydrazine
CID 105227664
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine (CID 114530277) is 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine is CCCNC(CCc1nccn1C)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine?
The InChIKey is SPEOJQKAGIXLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-3-10-17-14(13-20-15-6-4-5-7-15)8-9-16-18-11-12-19(16)2/h11-12,14-15,17H,3-10,13H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine?
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 114530277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).