1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

C14H25ClN2S — CID 79053736

IUPAC1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(Cl)s1)C(C)(C)N(C)C
InChIInChI=1S/C14H25ClN2S/c1-6-9-16-12(14(2,3)17(4)5)10-11-7-8-13(15)18-11/h7-8,12,16H,6,9-10H2,1-5H3
InChIKeyPANDROUVTLWPID-UHFFFAOYSA-N
MW288.89 g/mol
LogP3.65
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine

1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (PubChem CID 79053736) has the molecular formula C14H25ClN2S and a molecular weight of 288.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
PubChem CID79053736
Molecular FormulaC14H25ClN2S
Molecular Weight288.89 g/mol
Exact Mass288.14
IUPAC Name1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
SMILESCCCNC(Cc1ccc(Cl)s1)C(C)(C)N(C)C
InChIInChI=1S/C14H25ClN2S/c1-6-9-16-12(14(2,3)17(4)5)10-11-7-8-13(15)18-11/h7-8,12,16H,6,9-10H2,1-5H3
InChIKeyPANDROUVTLWPID-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine with MolForge

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053636
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
2-N-ethyl-1-(5-ethylthiophen-2-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052816
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
1-(2,5-dimethylphenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053836
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725952
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(5-chlorothiophen-2-yl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 79064420

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine (CID 79053736) is 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is CCCNC(Cc1ccc(Cl)s1)C(C)(C)N(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
The InChIKey is PANDROUVTLWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2S/c1-6-9-16-12(14(2,3)17(4)5)10-11-7-8-13(15)18-11/h7-8,12,16H,6,9-10H2,1-5H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine?
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine has a molecular weight of 288.89 g/mol, XLogP of 3.65, 7 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)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine is sourced from PubChem (CID 79053736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).