4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine

C14H26N4S — CID 65075665

IUPAC4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)Cc2cscn2)CC1
InChIInChI=1S/C14H26N4S/c1-3-18-7-4-5-14(11-15,6-8-18)17(2)9-13-10-19-12-16-13/h10,12H,3-9,11,15H2,1-2H3
InChIKeyGXJMHEIILGXWEL-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.78
Rot. Bonds5

About 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine

4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine (PubChem CID 65075665) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
PubChem CID65075665
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(CN)(N(C)Cc2cscn2)CC1
InChIInChI=1S/C14H26N4S/c1-3-18-7-4-5-14(11-15,6-8-18)17(2)9-13-10-19-12-16-13/h10,12H,3-9,11,15H2,1-2H3
InChIKeyGXJMHEIILGXWEL-UHFFFAOYSA-N
XLogP1.78
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
CID 55013447
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-N-methylazepan-4-amine
CID 65078817
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
CID 64624835
1-(aminomethyl)-3-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 106821948
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55013908
4-(aminomethyl)-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 61411927
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65078163
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65076321
1-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844711

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine?
The IUPAC name of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine (CID 65075665) is 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine is CCN1CCCC(CN)(N(C)Cc2cscn2)CC1.
What is the InChIKey of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine?
The InChIKey is GXJMHEIILGXWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-18-7-4-5-14(11-15,6-8-18)17(2)9-13-10-19-12-16-13/h10,12H,3-9,11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine?
4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine has a molecular weight of 282.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine is sourced from PubChem (CID 65075665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).