N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C14H25ClN2S — CID 79667729

IUPACN'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2S/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyQMTCCLPNVLCZDX-UHFFFAOYSA-N
MW288.89 g/mol
LogP4.16
Rot. Bonds7

About N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79667729) has the molecular formula C14H25ClN2S and a molecular weight of 288.89 g/mol. Its IUPAC name is N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79667729
Molecular FormulaC14H25ClN2S
Molecular Weight288.89 g/mol
Exact Mass288.14
IUPAC NameN'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(Cl)s1
InChIInChI=1S/C14H25ClN2S/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3
InChIKeyQMTCCLPNVLCZDX-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668052
N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662952
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]benzene-1,3-diol
CID 107711458
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668305
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]-4-methylphenol
CID 79660774
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112286
2,2-dimethyl-N'-(2-methylpentan-3-yl)-N'-propylpropane-1,3-diamine
CID 79668130
2,2-dimethyl-N'-(3-methylpentan-2-yl)-N'-propylpropane-1,3-diamine
CID 79661050
N-butyl-1-(5-chlorothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 43146891
N'-(4-methoxy-4-methylpentan-2-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667971

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79667729) is N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)c1ccc(Cl)s1.
What is the InChIKey of N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is QMTCCLPNVLCZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2S/c1-5-8-17(10-14(3,4)9-16)11(2)12-6-7-13(15)18-12/h6-7,11H,5,8-10,16H2,1-4H3.
What are the key properties of N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 288.89 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79667729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).