N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C16H32N2S — CID 118585239

IUPACN'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2S/c1-19-13-11-17-10-12-18(16-8-4-5-9-16)14-15-6-2-3-7-15/h15-17H,2-14H2,1H3
InChIKeyIIKRYPJGRBSOBD-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.37
Rot. Bonds9

About N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585239) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585239
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCC1)C1CCCC1
InChIInChI=1S/C16H32N2S/c1-19-13-11-17-10-12-18(16-8-4-5-9-16)14-15-6-2-3-7-15/h15-17H,2-14H2,1H3
InChIKeyIIKRYPJGRBSOBD-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(cyclopentylmethyl)-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584893
N'-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585077
N'-(cyclopentylmethyl)-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585150
N'-(cyclohexylmethyl)-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585202
N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585203
N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585204
N'-butan-2-yl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585248
N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585254
N'-butan-2-yl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585260
1-cyclopentyl-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 62071937
N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561873
N-[2-(cyclopentylmethylsulfanyl)propyl]cyclopentanamine
CID 63119985

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585239) is N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(CC1CCCC1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is IIKRYPJGRBSOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-19-13-11-17-10-12-18(16-8-4-5-9-16)14-15-6-2-3-7-15/h15-17H,2-14H2,1H3.
What are the key properties of N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 284.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).