N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine

C13H26N2S — CID 62561873

IUPACN-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)C1CCSC1
InChIInChI=1S/C13H26N2S/c1-15(13-6-9-16-11-13)8-7-14-10-12-4-2-3-5-12/h12-14H,2-11H2,1H3
InChIKeyUVNLFWCXESJYHA-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds6

About N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 62561873) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID62561873
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)C1CCSC1
InChIInChI=1S/C13H26N2S/c1-15(13-6-9-16-11-13)8-7-14-10-12-4-2-3-5-12/h12-14H,2-11H2,1H3
InChIKeyUVNLFWCXESJYHA-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
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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Related Compounds

N-[(3-amino-1-fluorocyclopentyl)methyl]thiolan-3-amine
CID 105473228
N-[(1-fluorocyclopentyl)methyl]-2-methylthiolan-3-amine
CID 126986902
N-[(1-fluorocyclopentyl)methyl]thiolan-3-amine
CID 130626719
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
2-Cyclopentyl-2-methyl-1,3-thiazolidine
CID 80497754
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'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118585203
N'-cyclopentyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585239
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine (CID 62561873) is N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine is CN(CCNCC1CCCC1)C1CCSC1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is UVNLFWCXESJYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-15(13-6-9-16-11-13)8-7-14-10-12-4-2-3-5-12/h12-14H,2-11H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62561873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).