N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine

C18H36N2S2 — CID 130411504

IUPACN-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine
SMILESCC(SN(C(C)C)C1CCCC1)SN(C(C)C)C1CCCC1
InChIInChI=1S/C18H36N2S2/c1-14(2)19(17-10-6-7-11-17)21-16(5)22-20(15(3)4)18-12-8-9-13-18/h14-18H,6-13H2,1-5H3
InChIKeyNSXJDMBPWBJLLC-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.93
Rot. Bonds8

About N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine

N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine (PubChem CID 130411504) has the molecular formula C18H36N2S2 and a molecular weight of 344.63 g/mol. Its IUPAC name is N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine.

Molecular Properties

Compound NameN-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine
PubChem CID130411504
Molecular FormulaC18H36N2S2
Molecular Weight344.63 g/mol
Exact Mass344.23
IUPAC NameN-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine
SMILESCC(SN(C(C)C)C1CCCC1)SN(C(C)C)C1CCCC1
InChIInChI=1S/C18H36N2S2/c1-14(2)19(17-10-6-7-11-17)21-16(5)22-20(15(3)4)18-12-8-9-13-18/h14-18H,6-13H2,1-5H3
InChIKeyNSXJDMBPWBJLLC-UHFFFAOYSA-N
XLogP5.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine
CID 130247024
1,1-dicyclohexyl-2,2-di(propan-2-yl)hydrazine
CID 57240749
N-ethenyl-N-propan-2-ylcyclopentanamine
CID 59459585
N-bis[cyclohexyl(propan-2-ylsulfanyl)amino]phosphinothioyl-N-propan-2-ylsulfanylcyclohexanamine
CID 54202542
2-[cyclopentyl(propan-2-yl)amino]propan-1-ol
CID 176871786
2-N-cyclopentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 83817405
N'-cyclohexyl-N'-propan-2-ylmethanediamine
CID 54225013
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
N-propan-2-yl-N-propylcyclopentanamine
CID 54134740
N-methyl-N-[methyl(methylidene)-λ4-sulfanyl]cyclopentanamine
CID 142537969
N,N-di(propan-2-yl)piperidin-4-amine
CID 54556274
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033

Frequently Asked Questions

What is the IUPAC name of N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine?
The IUPAC name of N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine (CID 130411504) is N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine.
What is the SMILES notation for N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine?
The canonical SMILES for N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine is CC(SN(C(C)C)C1CCCC1)SN(C(C)C)C1CCCC1.
What is the InChIKey of N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine?
The InChIKey is NSXJDMBPWBJLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2S2/c1-14(2)19(17-10-6-7-11-17)21-16(5)22-20(15(3)4)18-12-8-9-13-18/h14-18H,6-13H2,1-5H3.
What are the key properties of N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine?
N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine has a molecular weight of 344.63 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyclopentyl(propan-2-yl)amino]sulfanylethylsulfanyl]-N-propan-2-ylcyclopentanamine is sourced from PubChem (CID 130411504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).