1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

C14H25ClN2S — CID 55002445

IUPAC1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2S/c1-4-5-6-9-17(11(2)3)12(10-16)13-7-8-14(15)18-13/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyCEFPZFRJSRXTDM-UHFFFAOYSA-N
MW288.89 g/mol
LogP4.30
Rot. Bonds8

About 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 55002445) has the molecular formula C14H25ClN2S and a molecular weight of 288.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID55002445
Molecular FormulaC14H25ClN2S
Molecular Weight288.89 g/mol
Exact Mass288.14
IUPAC Name1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2S/c1-4-5-6-9-17(11(2)3)12(10-16)13-7-8-14(15)18-13/h7-8,11-12H,4-6,9-10,16H2,1-3H3
InChIKeyCEFPZFRJSRXTDM-UHFFFAOYSA-N
XLogP4.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 54.30
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-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891
1-(5-ethylthiophen-2-yl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 62345206
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55001862
1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63473286
1-(5-chlorothiophen-2-yl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 54945275
1-(3-chloro-5-fluorophenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 114453335
N-methyl-1-(5-methylthiophen-2-yl)-N-pentylethane-1,2-diamine
CID 43294656
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79849962
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63898659
1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 62133905
1-(5-chlorothiophen-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206934

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 55002445) is 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is CEFPZFRJSRXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2S/c1-4-5-6-9-17(11(2)3)12(10-16)13-7-8-14(15)18-13/h7-8,11-12H,4-6,9-10,16H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 288.89 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55002445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).