N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine

C14H24ClN3S — CID 107360102

IUPACN-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CN(C)CCCN1C
InChIInChI=1S/C14H24ClN3S/c1-4-16-13(14-11(15)6-9-19-14)12-10-17(2)7-5-8-18(12)3/h6,9,12-13,16H,4-5,7-8,10H2,1-3H3
InChIKeySLOBPHGOLSVDES-UHFFFAOYSA-N
MW301.89 g/mol
LogP2.69
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine (PubChem CID 107360102) has the molecular formula C14H24ClN3S and a molecular weight of 301.89 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
PubChem CID107360102
Molecular FormulaC14H24ClN3S
Molecular Weight301.89 g/mol
Exact Mass301.14
IUPAC NameN-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CN(C)CCCN1C
InChIInChI=1S/C14H24ClN3S/c1-4-16-13(14-11(15)6-9-19-14)12-10-17(2)7-5-8-18(12)3/h6,9,12-13,16H,4-5,7-8,10H2,1-3H3
InChIKeySLOBPHGOLSVDES-UHFFFAOYSA-N
XLogP2.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102833635
[(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105261282
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
N-[(1,4-dimethylpiperazin-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 79658937
N-[1-(3-chlorothiophen-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]propan-1-amine
CID 107360088
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
[(4-chlorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]hydrazine
CID 105261246
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107361656
N-[cyclohepten-1-yl-(1,4-dimethylpiperazin-2-yl)methyl]ethanamine
CID 106653850
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine (CID 107360102) is N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine is CCNC(c1sccc1Cl)C1CN(C)CCCN1C.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine?
The InChIKey is SLOBPHGOLSVDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3S/c1-4-16-13(14-11(15)6-9-19-14)12-10-17(2)7-5-8-18(12)3/h6,9,12-13,16H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine has a molecular weight of 301.89 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]ethanamine is sourced from PubChem (CID 107360102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).