2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine

C13H28N2S — CID 103088640

IUPAC2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
SMILESCCN(C(CN)CCCSC)C1CCCC1
InChIInChI=1S/C13H28N2S/c1-3-15(12-7-4-5-8-12)13(11-14)9-6-10-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyMUZKELAANVERGM-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.72
Rot. Bonds8

About 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine

2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine (PubChem CID 103088640) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
PubChem CID103088640
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC Name2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine
SMILESCCN(C(CN)CCCSC)C1CCCC1
InChIInChI=1S/C13H28N2S/c1-3-15(12-7-4-5-8-12)13(11-14)9-6-10-16-2/h12-13H,3-11,14H2,1-2H3
InChIKeyMUZKELAANVERGM-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.72
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

3-amino-2-[cyclohexyl(ethyl)amino]propan-1-ol
CID 104710791
2-N-cyclopropyl-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60810845
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
2-N-butyl-2-N-cyclopropylhexane-1,2-diamine
CID 61440730
2-N-methyl-5-methylsulfanyl-2-N-(4-methylsulfanylbutan-2-yl)pentane-1,2-diamine
CID 103089079
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
2-N-methyl-2-N-(2-methylbutyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088628
2-N-cyclopropyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465210
2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821
2-N-cyclopentyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62422296
2-N-methyl-2-N-(4-methylcyclohexyl)-4-methylsulfanylbutane-1,2-diamine
CID 61439507
(2R)-2-amino-N,N-dicyclohexyl-4-methylsulfanylbutanamide
CID 104906791

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine (CID 103088640) is 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine is CCN(C(CN)CCCSC)C1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine?
The InChIKey is MUZKELAANVERGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-15(12-7-4-5-8-12)13(11-14)9-6-10-16-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine?
2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine has a molecular weight of 244.45 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N-ethyl-5-methylsulfanylpentane-1,2-diamine is sourced from PubChem (CID 103088640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).