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

C12H26N2S — CID 118584972

IUPACN'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCSC)C1CCCC1
InChIInChI=1S/C12H26N2S/c1-3-14(12-6-4-5-7-12)10-8-13-9-11-15-2/h12-13H,3-11H2,1-2H3
InChIKeyQWLWJMKBDYTULZ-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds8

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

N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118584972) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118584972
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCSC)C1CCCC1
InChIInChI=1S/C12H26N2S/c1-3-14(12-6-4-5-7-12)10-8-13-9-11-15-2/h12-13H,3-11H2,1-2H3
InChIKeyQWLWJMKBDYTULZ-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118584972) is N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCN(CCNCCSC)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is QWLWJMKBDYTULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-3-14(12-6-4-5-7-12)10-8-13-9-11-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118584972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).